Molecule ID: 3496

IUPAC Name: 2-(phosphonomethylamino)acetic acid

Description: The molecule is a phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicdes worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS). It has a role as an agrochemical, an EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor and a herbicide. It is a phosphonic acid and a glycine derivative. It is a conjugate acid of a glyphosate(2-) and a glyphosate(1-).

SMILES: O=C(O)CNCP(=O)(O)O

SELFIES: [O][=C][Branch1][C][O][C][N][C][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: -4.6