Molecule ID: 92852

IUPAC Name: 2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid

Description: The molecule is a tryptophan derivative that is tryptophan substituted by a methyl group at position 5 of the indole ring. It is a non-proteinogenic alpha-amino acid and a tryptophan derivative.

SMILES: Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1

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

InChI: InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 79.1 Ų
- LogP: -0.7