3-Chloroalaninate

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom.

D-alpha-amino acids

Organic compounds

Organic acids and derivatives

Carboxylic acids and derivatives

Amino acids, peptides, and analogues

Calculated Property

kind Value Source
logP -1.6 ALOGPS
logS -1 ALOGPS
Water Solubility 1.66e+01 g/l ALOGPS
logP -2.5 ChemAxon
IUPAC Name (2S)-2-azaniumyl-3-chloropropanoate ChemAxon
Traditional IUPAC Name β-chloro-D-alanine ChemAxon
Molecular Weight 123.538 ChemAxon
Monoisotopic Weight 123.008706148 ChemAxon
SMILES [NH3+][C@H](CCl)C([O-])=O ChemAxon
Molecular Formula C3H6ClNO2 ChemAxon
InChI InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1 ChemAxon
InChIKey InChIKey=ASBJGPTTYPEMLP-UWTATZPHSA-N ChemAxon
Polar Surface Area (PSA) 67.77 ChemAxon
Refractivity 47.22 ChemAxon
Polarizability 10.49 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 1.7 ChemAxon
pKa (strongest basic) 8.52 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 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)