Molecule ID: 8617

IUPAC Name: 4-(1H-indol-3-yl)butanoic acid

Description: The molecule is a indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1. It has a role as a plant hormone, a plant metabolite and an auxin. It derives from a butyric acid. It is a conjugate acid of an indole-3-butyrate.

SMILES: O=C(O)CCCc1c[nH]c2ccccc12

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

InChI: InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: 2.3