Molecule ID: 45479415

IUPAC Name: 2-imino-3-(1H-indol-3-yl)propanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 2-imino-3-(indol-3-yl)propanoic acid, obtained by deprotonation of the carboxy group. It has a role as a bacterial metabolite. It is a conjugate base of a 2-imino-3-(indol-3-yl)propanoic acid and a 2-iminio-3-(indol-3-yl)propanoate.

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

SELFIES: [N][=C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,12-13H,5H2,(H,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 79.8 Ų
- LogP: 2.0