Molecule ID: 42578501

IUPAC Name: (2S,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate

Description: The molecule is a (2S)-2-hydroxy monocarboxylic acid anion that is the conjugate base of indolmycenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an indolmycenic acid.

SMILES: C[C@H](c1c[nH]c2ccccc12)[C@H](O)C(=O)[O-]

SELFIES: [C][C@H1][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Branch1][C][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C12H13NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,11,13-14H,1H3,(H,15,16)/p-1/t7-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 76.2 Ų
- LogP: 2.4