Molecule ID: 71581085

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

Description: The molecule is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of L-enduracididine. It is a conjugate acid of a L-enduracididine.

SMILES: N=C1NC[C@@H](C[C@H]([NH3+])C(=O)O)N1

SELFIES: [N][=C][N][C][C@@H1][Branch1][O][C][C@H1][Branch1][C][NH3+1][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)/p+1/t3-,4+/m1/s1

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: -3.9