1-Butane Boronic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as boronic acids. These are compounds comprising the boronic acid functional group RB(O)O (R,R’=alkyl,aryl).

Boronic acids

Organic compounds

Organic acids and derivatives

Boronic acid derivatives

Boronic acids

Calculated Property

kind Value Source
logP 0.68 ALOGPS
logS 0.09 ALOGPS
Water Solubility 1.26e+02 g/l ALOGPS
logP 1.17 ChemAxon
IUPAC Name butylboronic acid ChemAxon
Traditional IUPAC Name butylboronic acid ChemAxon
Molecular Weight 101.94 ChemAxon
Monoisotopic Weight 102.085210062 ChemAxon
SMILES CCCCB(O)O ChemAxon
Molecular Formula C4H11BO2 ChemAxon
InChI InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3 ChemAxon
InChIKey InChIKey=QPKFVRWIISEVCW-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 40.46 ChemAxon
Refractivity 24.71 ChemAxon
Polarizability 12.21 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 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

  • Bacterial leucyl aminopeptidase : in Vibrio proteolyticus