1-Hydroxyamine-2-Isobutylmalonic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.

Methyl-branched fatty acids

Organic compounds

Lipids and lipid-like molecules

Fatty Acyls

Fatty acids and conjugates

Calculated Property

kind Value Source
logP 0.13 ALOGPS
logS -0.89 ALOGPS
Water Solubility 2.28e+01 g/l ALOGPS
logP 0.58 ChemAxon
IUPAC Name (2R)-2-(hydroxycarbamoyl)-4-methylpentanoic acid ChemAxon
Traditional IUPAC Name (2R)-2-(hydroxycarbamoyl)-4-methylpentanoic acid ChemAxon
Molecular Weight 175.1824 ChemAxon
Monoisotopic Weight 175.084457909 ChemAxon
SMILES CC(C)C[C@@H](C(O)=O)C(=O)NO ChemAxon
Molecular Formula C7H13NO4 ChemAxon
InChI InChI=1S/C7H13NO4/c1-4(2)3-5(7(10)11)6(9)8-12/h4-5,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1 ChemAxon
InChIKey InChIKey=CINIOMOBGSHXRK-RXMQYKEDSA-N ChemAxon
Polar Surface Area (PSA) 86.63 ChemAxon
Refractivity 40.9 ChemAxon
Polarizability 16.99 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 3.99 ChemAxon
pKa (strongest basic) -5.5 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Neutrophil collagenase : in Human