Molecule ID: 89235

IUPAC Name: 2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid

Description: The molecule is a histidine derivative that is histidine in which one of the hydrogens attached to the alpha-amino group has been replaced by a 4-aminobutanoyl group. It has a role as a metabolite. It is a histidine derivative, a N-acyl-amino acid and a member of imidazoles. It derives from a gamma-aminobutyric acid.

SMILES: NCCCC(O)=NC(Cc1cnc[nH]1)C(=O)O

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

InChI: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -3.6