Molecule ID: 5082560

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

Description: The molecule is a monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of N-acetyltryptophan. It has a role as a metabolite. It is a conjugate base of a N-acetyltryptophan.

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

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

InChI: InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/p-1

Molecular Properties:
- Polar Surface Area: 85.0 Ų
- LogP: 1.7