L-AP4   

GtoPdb Ligand ID: 1410

Synonyms: L-2-amino-4-phosphonobutiric acid | S-2-amino-4-phosphonobutyrate
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 130.66
Molecular weight 183.03
XLogP -4.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(CCP(=O)(O)O)N
Isomeric SMILES OC(=O)[C@H](CCP(=O)(O)O)N
InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
InChI Key DDOQBQRIEWHWBT-VKHMYHEASA-N