Molecule ID: 2574

IUPAC Name: 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

Description: The molecule is a beta-alanine derivative that is the amide obtained by formal condensation of the carboxy group of beta-alanine with the primary amino group of histamine. It has a role as a crustacean metabolite and an antioxidant. It is a beta-alanine derivative, a monocarboxylic acid amide and a member of imidazoles. It derives from a histamine.

SMILES: NCCC(O)=NCCc1cnc[nH]1

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

InChI: InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: -1.5