Molecule ID: 131801261

IUPAC Name: (2S)-2-azaniumyl-5-oxo-5-(phosphonatoamino)pentanoate

Description: The molecule is an organic phosphoramidate anion obtained by deprotonation of the phosphoramidate and carboxy groups as well as protonation of the amino group of N(5)-phospho-L-glutamine; major species at pH 7.3. It is an organic phosphoramidate anion and an alpha-amino-acid anion.

SMILES: N[C@@H](CCC([O-])=NP(=O)(O)O)C(=O)[O-]

SELFIES: [N][C@@H1][Branch1][S][C][C][C][Branch1][C][O-1][=N][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C5H11N2O6P/c6-3(5(9)10)1-2-4(8)7-14(11,12)13/h3H,1-2,6H2,(H,9,10)(H3,7,8,11,12,13)/p-2/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 160.0 Ų
- LogP: -4.9