Molecule ID: 152657

IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanal

Description: The molecule is an amino aldehyde obtained by partial reduction of the carboxy group of L-histidine It is an amino aldehyde and a member of imidazoles. It is a conjugate base of a L-histidinal(1+).

SMILES: N[C@H](C=O)Cc1cnc[nH]1

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

InChI: InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 71.8 Ų
- LogP: -1.0