Molecule ID: 6921545

IUPAC Name: (2S)-2-azaniumyl-3-(5-methoxy-1H-indol-3-yl)propanoate

Description: The molecule is a zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of 5-methoxy-L-tryptophan; major species at pH 7.3. It is a tautomer of a 5-methoxytryptophan.

SMILES: COc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1

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

InChI: InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1

Molecular Properties:
- Polar Surface Area: 92.8 Ų
- LogP: -0.2