Molecule ID: 92904

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

Description: The molecule is a hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan. It has a role as a human metabolite. It is an indol-3-yl carboxylic acid and a hydroxy monocarboxylic acid. It derives from a rac-lactic acid. It is a conjugate acid of a 3-(indol-3-yl)lactate.

SMILES: O=C(O)C(O)Cc1c[nH]c2ccccc12

SELFIES: [O][=C][Branch1][C][O][C][Branch1][C][O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)

Molecular Properties:
- Polar Surface Area: 73.3 Ų
- LogP: 1.5