2-methyl-2-(methylamino)propanoic acid hydrochloride

• ChemBase ID: 243873
• Molecular Formular: C5H12ClNO2
• Molecular Mass: 153.60728
• Monoisotopic Mass: 153.05565631
• SMILES: C(=O)(C(NC)(C)C)O.Cl
• Canonical SMILES: CNC(C(=O)O)(C)C.Cl
• InChI: InChI=1S/C5H11NO2.ClH/c1-5(2,6-3)4(7)8;/h6H,1-3H3,(H,7,8);1H
• InChIKey: BZLVPSLGJCWYBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(methylamino)propanoic acid hydrochloride
• IUPAC Traditional name: 2-(methylamino)isobutyric acid hydrochloride
• Synonyms: 2-methyl-2-(methylamino)propanoic acid hydrochloride

Database IDs

• MDL Number: MFCD06795786
• PubChem SID: 164299783
• PubChem CID: 56777132

CALCULATED PROPERTIES

• Acid pKa: 2.2310338
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1848838
• LogD (pH = 7.4): -2.1849868
• Log P: -2.1847591
• Molar Refractivity: 29.9852 cm^3
• Polarizability: 12.004493 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.424

Product Information

• Purity: 95%