Molecule ID: 160511

IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid

Description: The molecule is a N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan. It has a role as an Escherichia coli metabolite. It is a L-tryptophan derivative and a N-methyl-L-alpha-amino acid. It is a tautomer of a N(alpha)-methyl-L-tryptophan zwitterion.

SMILES: CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

SELFIES: [C][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 65.099 Ų
- LogP: -0.5