Proline and derivatives

Description:

Compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Ancestors:

Organic compounds ⮕ Organic acids and derivatives ⮕ Carboxylic acids and derivatives ⮕ Amino acids, peptides, and analogues ⮕ Amino acids and derivatives ⮕ Alpha amino acids and derivatives ⮕ Proline and derivatives

(2S，4R)-1-(tert-Butoxycarbonyl)-4-(2-iodobenzyl)pyrrolidine-2-carboxylic acid
- ≥97%
Cas Number: 959573-29-6 Compound CID: 2762041

Formula: C₁₇H₂₂INO₄ Molecular Weight: 431.27

IUPAC Name: (2S,4R)-4-[(2-iodophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)CC2=CC=CC=C2I

InChIKey: HBWLCAGHSYMYMX-RISCZKNCSA-N

InChI: InChI=1S/C17H22INO4/c1-17(2,3)23-16(22)19-10-11(9-14(19)15(20)21)8-12-6-4-5-7-13(12)18/h4-7,11,14H,8-10H2,1-3H3,(H,20,21)/t11-,14+/m1/s1
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(2S，4R)-1-(tert-Butoxycarbonyl)-4-(3-fluorobenzyl)pyrrolidine-2-carboxylic acid
- ≥95%
Cas Number: 959579-74-9 Compound CID: 2761969

Formula: C₁₇H₂₂FNO₄ Molecular Weight: 323.37

IUPAC Name: (2S,4R)-4-[(3-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)CC2=CC(=CC=C2)F

InChIKey: FOHLSHFPNQQVND-OCCSQVGLSA-N

InChI: InChI=1S/C17H22FNO4/c1-17(2,3)23-16(22)19-10-12(9-14(19)15(20)21)7-11-5-4-6-13(18)8-11/h4-6,8,12,14H,7,9-10H2,1-3H3,(H,20,21)/t12-,14+/m1/s1
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(2S，4R)-1-(tert-Butoxycarbonyl)-4-(4-methylbenzyl)pyrrolidine-2-carboxylic acid
- ≥95%
Cas Number: 959581-21-6 Compound CID: 2761999

Formula: C₁₈H₂₅NO₄ Molecular Weight: 319.4

IUPAC Name: (2S,4R)-4-[(4-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

SMILES: CC1=CC=C(C=C1)CC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)O

InChIKey: OMVHMNVKZQEBAU-CABCVRRESA-N

InChI: InChI=1S/C18H25NO4/c1-12-5-7-13(8-6-12)9-14-10-15(16(20)21)19(11-14)17(22)23-18(2,3)4/h5-8,14-15H,9-11H2,1-4H3,(H,20,21)/t14-,15+/m1/s1
Details

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(2S，4R)-1-(tert-Butoxycarbonyl)-4-(3-chlorobenzyl)pyrrolidine-2-carboxylic acid
- ≥95%
Cas Number: 959576-36-4 Compound CID: 2761978

Formula: C₁₇H₂₂ClNO₄ Molecular Weight: 339.8

IUPAC Name: (2S,4R)-4-[(3-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)CC2=CC(=CC=C2)Cl

InChIKey: RAJKVFMPBMVDDC-OCCSQVGLSA-N

InChI: InChI=1S/C17H22ClNO4/c1-17(2,3)23-16(22)19-10-12(9-14(19)15(20)21)7-11-5-4-6-13(18)8-11/h4-6,8,12,14H,7,9-10H2,1-3H3,(H,20,21)/t12-,14+/m1/s1
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Stachydrine hydrochloride
- ≥98%
Cas Number: 4136-37-2

Formula: C₇H₁₃NO₂·HCl Molecular Weight: 179.64

IUPAC Name: (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid;chloride

SMILES: C[N+]1(CCCC1C(=O)O)C.[Cl-]

InChIKey: DUNMULOWUUIQIL-RGMNGODLSA-N

InChI: InChI=1S/C7H13NO2.ClH/c1-8(2)5-3-4-6(8)7(9)10;/h6H,3-5H2,1-2H3;1H/t6-;/m0./s1

Synonyms: 2-Carboxy-1,1-dimethylpyrrolidinium chloride | Stachydrine HCl
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trans-1-tert-butoxycarbonyl-3-phenyl-pyrrolidine-2-carboxylic acid
- ≥97%
Cas Number: 149252-59-5 Compound CID: 11289308

Formula: C₁₆H₂₁NO₄ Molecular Weight: 291.34

SMILES: CC(C)(C)OC(=O)N1CC[C@H]([C@@H]1C(=O)O)C2=CC=CC=C2

InChIKey: LNVFMMJOXRYVKX-QWHCGFSZSA-N

InChI: InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-9-12(13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/m0/s1
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5,5-dimethylpyrrolidine-2-carboxylic acid
- ≥97%
Cas Number: 146954-59-8 Compound CID: 11789318

Formula: C₇H₁₃NO₂ Molecular Weight: 143.18

SMILES: CC1(CCC(N1)C(=O)O)C

InChIKey: DEMIRSVUSWJCFT-UHFFFAOYSA-N

InChI: InChI=1S/C7H13NO2/c1-7(2)4-3-5(8-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
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1-tert-butoxycarbonyl-4,4-difluoro-pyrrolidine-2-carboxylic acid
- ≥97%
Cas Number: 1000313-01-8

Formula: C10H15F2NO4

IUPAC Name: 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)(F)F

InChIKey: WTMZYKCXBXPVPT-UHFFFAOYSA-N

InChI: InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)
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1-[(tert-butoxy)carbonyl]-5,5-dimethylpyrrolidine-2-carboxylic acid
- ≥97%
Cas Number: 900158-99-8 Compound CID: 53415774

Formula: C₁₂H₂₁NO₄ Molecular Weight: 243.3

IUPAC Name: 5,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

SMILES: CC1(CCC(N1C(=O)OC(C)(C)C)C(=O)O)C

InChIKey: SFPBDVPSCZYAHV-UHFFFAOYSA-N

InChI: InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8(9(14)15)6-7-12(13,4)5/h8H,6-7H2,1-5H3,(H,14,15)
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(2R,4R)-1-[(tert-butoxy)carbonyl]-4-methylpyrrolidine-2-carboxylic acid
- ≥97%
Cas Number: 871727-77-4 EC Number: 674-637-3 Compound CID: 26599272

IUPAC Name: (2R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

SMILES: CC1CC(N(C1)C(=O)OC(C)(C)C)C(=O)O

InChIKey: MXKSXPYZNXUHEZ-HTQZYQBOSA-N

InChI: InChI=1S/C11H19NO4/c1-7-5-8(9(13)14)12(6-7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m1/s1
Details

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(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
- ≥97%
Cas Number: 23500-15-4 Compound CID: 15324300

Formula: C₉H₁₅NO₃ Molecular Weight: 185.22

IUPAC Name: (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid

SMILES: CC(C)C(=O)N1CCCC1C(=O)O

InChIKey: WKQUFVTUGGLNNO-ZETCQYMHSA-N

InChI: InChI=1S/C9H15NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t7-/m0/s1
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(2R,4R)-1-benzyloxycarbonyl-4-hydroxy-pyrrolidine-2-carboxylic acid
- ≥97%
Cas Number: 130930-25-5

Formula: C₁₃H₁₅NO₅ Molecular Weight: 265.26

IUPAC Name: (2R,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

SMILES: C1C(CN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)O

InChIKey: WWVCWLBEARZMAH-GHMZBOCLSA-N

InChI: InChI=1S/C13H15NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)/t10-,11-/m1/s1
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