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Beta amino acids and derivatives

Description:

Amino acids having a (-NH2) group attached to the beta carbon atom.

Ancestors:

Organic compounds ⮕ Organic acids and derivatives ⮕ Carboxylic acids and derivatives ⮕ Amino acids, peptides, and analogues ⮕ Amino acids and derivatives ⮕ Beta amino acids and derivatives
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Items 1-12 of 538

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  1. α-Fluoro-β-alanine
      Grade & Purity: 
    • ≥95%
    Cas Number: 3821-81-6        EC Number: 223-318-3
    Formula:  C3H6FNO2        Molecular Weight: 107.08
    IUPAC Name:  3-amino-2-fluoropropanoic acid
    SMILES:  NCC(F)C(O)=O
    InChIKey: OJQNRNQELNLWHH-UHFFFAOYSA-N
    InChI:  InChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)
    Synonyms: 3-Amino-2-fluoropropionic acid | DL-2-Fluoro-β-alanine
    Details
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  2. methyl (3R)-3-acetamido-4-(2，4，5-trifluorophenyl)butanoate
      Grade & Purity: 
    • ≥97%
    Cas Number: 1234321-83-5
    Formula:  C13H14F3NO3        Molecular Weight: 289.25
    SMILES:  CC(=O)NC(CC1=CC(=C(C=C1F)F)F)CC(=O)OC
    InChIKey: BBGGHUOAAZMMET-SECBINFHSA-N
    InChI:  InChI=1S/C13H14F3NO3/c1-7(18)17-9(5-13(19)20-2)3-8-4-11(15)12(16)6-10(8)14/h4,6,9H,3,5H2,1-2H3,(H,17,18)/t9-/m1/s1
    Details
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  3. ethyl 3-(pyrrol-2'-ylcarbonylamino)propanoate
      Grade & Purity: 
    • ≥95%
    Cas Number: 129053-83-4
    Formula:  C10H14N2O3        Molecular Weight: 210.23
    SMILES:  CCOC(=O)CCNC(=O)C1=CC=CN1
    InChIKey: XWDQZWGZHHUXPQ-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H14N2O3/c1-2-15-9(13)5-7-12-10(14)8-4-3-6-11-8/h3-4,6,11H,2,5,7H2,1H3,(H,12,14)
    Details
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  4. Sodium 3-((2-aminoethyl)amino)propanoate
      Grade & Purity: 
    • ≥97%
    Cas Number: 84434-12-8        EC Number: 282-811-1        Compound CID:  23711569
    Formula:  C5H11N2NaO2        Molecular Weight: 154.14
    IUPAC Name:  sodium;3-(2-aminoethylamino)propanoate
    SMILES:  C(CNCCN)C(=O)[O-].[Na+]
    InChIKey: GRRYHLMTCTVDNC-UHFFFAOYSA-M
    InChI:  InChI=1S/C5H12N2O2.Na/c6-2-4-7-3-1-5(8)9;/h7H,1-4,6H2,(H,8,9);/q;+1/p-1
    Details
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  5. Sitagliptin EP Impurity A
      Grade & Purity: 
    • ≥95%
    Cas Number: 823817-55-6        Compound CID:  11432118
    IUPAC Name:  (3S)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
    SMILES:  C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N
    InChIKey: MFFMDFFZMYYVKS-VIFPVBQESA-N
    InChI:  InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m0/s1
    Details
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  6. 3-amino-4-(2，4，5-trifluorophenyl)butanoic acid
      Grade & Purity: 
    • ≥97%
    Cas Number: 1283583-85-6
    Formula:  C10H10F3NO2        Molecular Weight: 233.19
    SMILES:  C1=C(C(=CC(=C1F)F)F)CC(CC(=O)O)N
    InChIKey: KEFQQJVYCWLKPL-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H10F3NO2/c11-7-4-9(13)8(12)2-5(7)1-6(14)3-10(15)16/h2,4,6H,1,3,14H2,(H,15,16)
    Details
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  7. 3-(Trifluoroacetamido)propanoic acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 50632-82-1
    Formula:  C5H6F3NO3        Molecular Weight: 185.1
    SMILES:  C(CNC(=O)C(F)(F)F)C(=O)O
    InChIKey: CHQZKOJTYLNXPH-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H6F3NO3/c6-5(7,8)4(12)9-2-1-3(10)11/h1-2H2,(H,9,12)(H,10,11)
    Details
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  8. (S)-3-Amino-3-(4-bromophenyl)propanoic acid hydrochloride
      Grade & Purity: 
    • ≥95%
    Cas Number: 930769-56-5        Compound CID:  50988631
    Formula:  C9H11BrClNO2        Molecular Weight: 280.54
    IUPAC Name:  (3S)-3-amino-3-(4-bromophenyl)propanoic acid;hydrochloride
    SMILES:  C1=CC(=CC=C1C(CC(=O)O)N)Br.Cl
    InChIKey: UDMBAXSJPLSJGM-QRPNPIFTSA-N
    InChI:  InChI=1S/C9H10BrNO2.ClH/c10-7-3-1-6(2-4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m0./s1
    Details
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  9. DBCO-Amine
      Grade & Purity: 
    • ≥95%
    Cas Number: 1255942-06-3
    Formula:  C18H16N2O        Molecular Weight: 276.33
    IUPAC Name:  3-amino-1-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)propan-1-one
    SMILES:  C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCN
    InChIKey: OCCYFTDHSHTFER-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H16N2O/c19-12-11-18(21)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13,19H2
    Synonyms: DBCO-NH2 | CS-W000423 | 1255942-06-3 | ADIBO-amine | Dibenzocyclooctyne-amine | PD171600 | Azadibenzocyclooctyne-amine
    Details
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  10. N，N-Dimethylpiperidine-3-carboxamide
      Grade & Purity: 
    • ≥95%
    Cas Number: 5505-20-4        Compound CID:  18760276
    Formula:  C8H16N2O        Molecular Weight: 156.22
    IUPAC Name:  N,N-dimethylpiperidine-3-carboxamide
    SMILES:  CN(C)C(=O)C1CCCNC1
    InChIKey: KLSDFCJMDZZDKK-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H16N2O/c1-10(2)8(11)7-4-3-5-9-6-7/h7,9H,3-6H2,1-2H3
    Details
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  11. Morpholine-2-carboxamide
      Grade & Purity: 
    • ≥95%
    Cas Number: 135072-13-8        EC Number: 822-137-2        Compound CID:  15955786
    Formula:  C5H10N2O2        Molecular Weight: 130.15
    IUPAC Name:  morpholine-2-carboxamide
    SMILES:  C1COC(CN1)C(=O)N
    InChIKey: LSNOAQQZECGQNS-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H10N2O2/c6-5(8)4-3-7-1-2-9-4/h4,7H,1-3H2,(H2,6,8)
    Details
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  12. 3-(Methylamino)propanoic acid hydrochloride
      Grade & Purity: 
    • ≥95%
    Cas Number: 65845-56-9        Compound CID:  45791941
    Formula:  C4H10ClNO2        Molecular Weight: 139.58
    IUPAC Name:  3-(methylamino)propanoic acid;hydrochloride
    SMILES:  CNCCC(=O)O.Cl
    InChIKey: NMVZBHCSFYRWFC-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H9NO2.ClH/c1-5-3-2-4(6)7;/h5H,2-3H2,1H3,(H,6,7);1H
    Details
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