Molecule ID: 5280990

IUPAC Name: (Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid

Description: The molecule is a dehydroamino acid that is the 2,3-didehydro derivative of tryptophan. It is a conjugate acid of an alpha,beta-didehydrotryptophanate(1-). It is a tautomer of a 2-iminio-3-(indol-3-yl)propanoate, an alpha,beta-didehydrotryptophan zwitterion and a 2-imino-3-(indol-3-yl)propanoic acid.

SMILES: N/C(=C\c1c[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]

InChI: InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5-

Molecular Properties:
- Polar Surface Area: 79.1 Ų
- LogP: 1.7