Molecule ID: 3744

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

Description: The molecule is an indol-3-yl carboxylic acid that is propionic acid substituted by a 1H-indol-3-yl group at position 3. It has a role as an auxin, a human metabolite and a plant metabolite. It derives from a propionic acid. It is a conjugate acid of a 3-(1H-indol-3-yl)propanoate.

SMILES: O=C(O)CCc1c[nH]c2ccccc12

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

InChI: InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: 1.8