Molecule ID: 40423437

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

Description: The molecule is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 2-methyl-L-tryptophan; major species at pH 7.3. It has a role as a bacterial metabolite. It is a tautomer of a 2-methyl-L-tryptophan.

SMILES: Cc1[nH]c2ccccc2c1C[C@H](N)C(=O)O

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

InChI: InChI=1S/C12H14N2O2/c1-7-9(6-10(13)12(15)16)8-4-2-3-5-11(8)14-7/h2-5,10,14H,6,13H2,1H3,(H,15,16)/t10-/m0/s1

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: -0.2