Molecule ID: 123132018

IUPAC Name: [(1S)-1-acetamidoethyl]-hydroxyphosphinate

Description: The molecule is an organophosphonate oxoanion that is the conjugate base of [(1S)-1-acetamidoethyl]phosphonic acid, obtained by deprotonation of one of the phosphonate OH groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a [(S)-1-acetamidoethyl]phosphonic acid.

SMILES: CC([O-])=N[C@H](C)P(=O)(O)O

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

InChI: InChI=1S/C4H10NO4P/c1-3(6)5-4(2)10(7,8)9/h4H,1-2H3,(H,5,6)(H2,7,8,9)/p-1/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: -1.8