Molecule ID: 5199636

IUPAC Name: 2-[(2-carboxyacetyl)amino]-3-(1H-indol-3-yl)propanoic acid

Description: The molecule is a tryptophan derivative resulting from the formal condensation of the alpha-amino group of tryptophan with malonic acid. It is a tryptophan derivative, a dicarboxylic acid and a secondary carboxamide. It derives from a malonic acid.

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

SELFIES: [O][=C][Branch1][C][O][C][C][Branch1][C][O][=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/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 0.3