Indolyl carboxylic acids and derivatives

Description:

Compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Indoles and derivatives ⮕ Indolyl carboxylic acids and derivatives

3-(1-Methyl-1H-indol-3-yl)-propionic acid
- ≥98%
Cas Number: 7479-20-1 Compound CID: 344600

Formula: C₁₂H₁₃NO₂ Molecular Weight: 203.24

IUPAC Name: 3-(1-methylindol-3-yl)propanoic acid

SMILES: CN1C=C(C2=CC=CC=C21)CCC(=O)O

InChIKey: VVKVBQDZJLGAFG-UHFFFAOYSA-N

InChI: InChI=1S/C12H13NO2/c1-13-8-9(6-7-12(14)15)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3,(H,14,15)
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2-Amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid
- ≥97%
Cas Number: 53314-95-7 Compound CID: 9920885

Formula: C₁₁H₁₁FN₂O₂ Molecular Weight: 222.22

IUPAC Name: 2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid

SMILES: C1=CC2=C(C(=C1)F)NC=C2CC(C(=O)O)N

InChIKey: ADMHYWIKJSPIGJ-UHFFFAOYSA-N

InChI: InChI=1S/C11H11FN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)
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2-Amino-3-(5-chloro-1H-indol-3-yl)propanoic acid
- ≥97%
Cas Number: 154-07-4 Compound CID: 596210

Formula: C₁₁H₁₁ClN₂O₂ Molecular Weight: 238.67

IUPAC Name: 2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid

SMILES: C1=CC2=C(C=C1Cl)C(=CN2)CC(C(=O)O)N

InChIKey: TUKKZLIDCNWKIN-UHFFFAOYSA-N

InChI: InChI=1S/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)
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2-Amino-3-(6-methoxy-1H-indol-3-yl)propanoic acid
- ≥95%
Cas Number: 33600-67-8 Compound CID: 352941

Formula: C₁₂H₁₄N₂O₃ Molecular Weight: 234.25

IUPAC Name: 2-amino-3-(6-methoxy-1H-indol-3-yl)propanoic acid

SMILES: COC1=CC2=C(C=C1)C(=CN2)CC(C(=O)O)N

InChIKey: ASMBUJRMSWTSLE-UHFFFAOYSA-N

InChI: InChI=1S/C12H14N2O3/c1-17-8-2-3-9-7(4-10(13)12(15)16)6-14-11(9)5-8/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)
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2-Amino-3-(2-methyl-1H-indol-3-yl)propanoic acid
- ≥95%
Cas Number: 21495-41-0 Compound CID: 3015659

Formula: C₁₂H₁₄N₂O₂ Molecular Weight: 218.25

IUPAC Name: 2-amino-3-(2-methyl-1H-indol-3-yl)propanoic acid

SMILES: CC1=C(C2=CC=CC=C2N1)CC(C(=O)O)N

InChIKey: BXJSOEWOQDVGJW-UHFFFAOYSA-N

InChI: InChI=1S/C12H14N2O2/c1-7-9(6-10(13)12(15)16)8-4-2-3-5-11(8)14-7/h2-5,10,14H,6,13H2,1H3,(H,15,16)
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tert-Butyl 3-(2-methoxy-2-oxoethyl)-1H-indole-1-carboxylate
- ≥97%
Cas Number: 370562-34-8 Compound CID: 16748405

Formula: C₁₆H₁₉NO₄ Molecular Weight: 289.33

IUPAC Name: tert-butyl 3-(2-methoxy-2-oxoethyl)indole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(=O)OC

InChIKey: LGSVMEMKGVXHLI-UHFFFAOYSA-N

InChI: InChI=1S/C16H19NO4/c1-16(2,3)21-15(19)17-10-11(9-14(18)20-4)12-7-5-6-8-13(12)17/h5-8,10H,9H2,1-4H3
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Methyl 2-(6-bromo-1H-indol-3-yl)acetate
- ≥97%
Cas Number: 152213-63-3 Compound CID: 11644701

Formula: C₁₁H₁₀BrNO₂ Molecular Weight: 268.11

IUPAC Name: methyl 2-(6-bromo-1H-indol-3-yl)acetate

SMILES: COC(=O)CC1=CNC2=C1C=CC(=C2)Br

InChIKey: BMFSVEXJEHZDHD-UHFFFAOYSA-N

InChI: InChI=1S/C11H10BrNO2/c1-15-11(14)4-7-6-13-10-5-8(12)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3
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3-(2，3-Dioxoindolin-1-yl)propanoic acid
- ≥95%
Cas Number: 81250-90-0 Compound CID: 1756678

Formula: C₁₁H₉NO₄ Molecular Weight: 219.2

IUPAC Name: 3-(2,3-dioxoindol-1-yl)propanoic acid

SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CCC(=O)O

InChIKey: ABKOTFKKMABCRW-UHFFFAOYSA-N

InChI: InChI=1S/C11H9NO4/c13-9(14)5-6-12-8-4-2-1-3-7(8)10(15)11(12)16/h1-4H,5-6H2,(H,13,14)
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2-[1-(3-Chlorobenzyl)-1H-indol-3-yl]acetic acid
- ≥95%
Cas Number: 339016-33-0 Compound CID: 2764268

Formula: C₁₇H₁₄ClNO₂ Molecular Weight: 299.76

IUPAC Name: 2-[1-[(3-chlorophenyl)methyl]indol-3-yl]acetic acid

SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)CC(=O)O

InChIKey: BMZCMTIGPMYJKO-UHFFFAOYSA-N

InChI: InChI=1S/C17H14ClNO2/c18-14-5-3-4-12(8-14)10-19-11-13(9-17(20)21)15-6-1-2-7-16(15)19/h1-8,11H,9-10H2,(H,20,21)
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2-(5-Chloro-1H-indol-3-yl)acetic acid
- ≥98%
Cas Number: 1912-45-4 EC Number: 833-972-7 Compound CID: 150949

Formula: C₁₀H₈ClNO₂ Molecular Weight: 209.63

IUPAC Name: 2-(5-chloro-1H-indol-3-yl)acetic acid

SMILES: C1=CC2=C(C=C1Cl)C(=CN2)CC(=O)O

InChIKey: ZEIRLSDFVXNFGG-UHFFFAOYSA-N

InChI: InChI=1S/C10H8ClNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
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2-(1-Methyl-1H-Indol-2-Yl)Acetic Acid
- ≥95%
Cas Number: 127019-98-1 Compound CID: 825960

Formula: C₁₁H₁₁NO₂ Molecular Weight: 189.21

IUPAC Name: 2-(1-methylindol-2-yl)acetic acid

SMILES: CN1C2=CC=CC=C2C=C1CC(=O)O

InChIKey: WOSJKENLZHUUMC-UHFFFAOYSA-N

InChI: InChI=1S/C11H11NO2/c1-12-9(7-11(13)14)6-8-4-2-3-5-10(8)12/h2-6H,7H2,1H3,(H,13,14)
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(S)-2-Amino-3-(5-methyl-1H-indol-3-yl)propanoic acid
- ≥99%
Cas Number: 154-06-3

Formula: C₁₂H₁₄N₂O₂ Molecular Weight: 218.25

IUPAC Name: (2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid

SMILES: CC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N

InChIKey: HUNCSWANZMJLPM-JTQLQIEISA-N

InChI: InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
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