Molecule ID: 4099458

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

Description: The molecule is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of tryptophan; major species at pH 7.3. It is a tautomer of a tryptophan.

SMILES: NC(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]

InChI: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: -0.4