1-Aminocyclopropylphosphonate

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.

Organic phosphonic acids

Organic compounds

Organophosphorus compounds

Organic phosphonic acids and derivatives

Organic phosphonic acids

Calculated Property

kind Value Source
logP -1.6 ALOGPS
logS -0.45 ALOGPS
Water Solubility 5.45e+01 g/l ALOGPS
logP -2.3 ChemAxon
IUPAC Name hydrogen (1-aminocyclopropyl)phosphonate ChemAxon
Traditional IUPAC Name 1-aminocyclopropanephosphonate ChemAxon
Molecular Weight 136.0663 ChemAxon
Monoisotopic Weight 136.016354607 ChemAxon
SMILES NC1(CC1)[P@](O)([O-])=O ChemAxon
Molecular Formula C3H7NO3P ChemAxon
InChI InChI=1S/C3H8NO3P/c4-3(1-2-3)8(5,6)7/h1-2,4H2,(H2,5,6,7)/p-1 ChemAxon
InChIKey InChIKey=WKCJTSHOKDLADL-UHFFFAOYSA-M ChemAxon
Polar Surface Area (PSA) 86.38 ChemAxon
Refractivity 26.98 ChemAxon
Polarizability 10.87 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) -0.29 ChemAxon
pKa (strongest basic) 10.06 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • 1-aminocyclopropane-1-carboxylate deaminase : in Pseudomonas sp. (strain ACP)