2-amino-4-oxopentanoic acid hydrochloride

• ChemBase ID: 243266
• Molecular Formular: C5H10ClNO3
• Molecular Mass: 167.5908
• Monoisotopic Mass: 167.03492087
• SMILES: C(=O)(C(CC(=O)C)N)O.Cl
• Canonical SMILES: CC(=O)CC(C(=O)O)N.Cl
• InChI: InChI=1S/C5H9NO3.ClH/c1-3(7)2-4(6)5(8)9;/h4H,2,6H2,1H3,(H,8,9);1H
• InChIKey: BYAFJYYQCWOTAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-oxopentanoic acid hydrochloride
• IUPAC Traditional name: 2-amino-4-oxopentanoic acid hydrochloride
• Synonyms: 2-amino-4-oxopentanoic acid hydrochloride

Database IDs

• MDL Number: MFCD22578633
• PubChem SID: 164299176
• PubChem CID: 71757210

CALCULATED PROPERTIES

• Acid pKa: 2.1132483
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1527462
• LogD (pH = 7.4): -3.1632185
• Log P: -3.1529417
• Molar Refractivity: 30.0838 cm^3
• Polarizability: 12.14889 Å^3
• Polar Surface Area: 80.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.686

Product Information

• Purity: 95%