Molecule ID: 444107

IUPAC Name: 4-[[(1R)-1-[hydroxy(phenoxy)phosphoryl]pentyl]amino]-4-oxobutanoic acid

Description: The molecule is a dicarboxylic acid monoamide that is a hapten and transition state analogue containing phenylphosphonate and succinoylamino moieties. It has a role as a hapten. It is an organic phosphonate and a dicarboxylic acid monoamide. It derives from a succinic acid.

SMILES: CCCC[C@H](N=C(O)CCC(=O)O)P(=O)(O)Oc1ccccc1

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

InChI: InChI=1S/C15H22NO6P/c1-2-3-9-14(16-13(17)10-11-15(18)19)23(20,21)22-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t14-/m1/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 1.5