Molecule ID: 6992114

IUPAC Name: (2S)-2-(3-azaniumylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoate

Description: The molecule is zwitterionic form of anserine. It has a role as an animal metabolite. It is a tautomer of an anserine.

SMILES: Cn1cncc1C[C@H](N=C(O)CCN)C(=O)O

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

InChI: InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: -3.4