Molecule ID: 440740

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

Description: The molecule is a 2-oxo monocarboxylic acid that is 2-oxobutyric acid which is substituted at position 3 by an indol-3-yl group. It is an indol-3-yl carboxylic acid and a 2-oxo monocarboxylic acid. It derives from a butyric acid.

SMILES: CC(C(=O)C(=O)O)c1c[nH]c2ccccc12

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

InChI: InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 70.2 Ų
- LogP: 2.0