Molecule ID: 136226466

IUPAC Name: (2S)-2-amino-3-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]propanoic acid

Description: The molecule is an L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is substituted by a 2-iminoimidazolidin-4-yl group. It is a member of imidazolidines, a L-histidine derivative and a non-proteinogenic L-alpha-amino acid. It is a conjugate base of a L-enduracididine(1+).

SMILES: N=C1NC[C@@H](C[C@H](N)C(=O)O)N1

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

InChI: InChI=1S/C6H12N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1

Molecular Properties:
- Polar Surface Area: 114.0 Ų
- LogP: -4.5