2-amino-3-methoxy-2-methylpropanoic acid hydrochloride

• ChemBase ID: 235092
• Molecular Formular: C5H12ClNO3
• Molecular Mass: 169.60668
• Monoisotopic Mass: 169.05057093
• SMILES: C(C(=O)O)(N)(COC)C.Cl
• Canonical SMILES: CC(C(=O)O)(COC)N.Cl
• InChI: InChI=1S/C5H11NO3.ClH/c1-5(6,3-9-2)4(7)8;/h3,6H2,1-2H3,(H,7,8);1H
• InChIKey: MZRNKARWEKMSFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methoxy-2-methylpropanoic acid hydrochloride
• IUPAC Traditional name: 2-amino-3-methoxy-2-methylpropanoic acid hydrochloride
• Synonyms: 2-amino-3-methoxy-2-methylpropanoic acid hydrochloride

Database IDs

• MDL Number: MFCD22056367
• PubChem SID: 164291002
• PubChem CID: 71755433

CALCULATED PROPERTIES

• Acid pKa: 2.2995665
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.8114557
• LogD (pH = 7.4): -2.8198478
• Log P: -2.8115404
• Molar Refractivity: 31.5055 cm^3
• Polarizability: 12.749567 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): -1.947

Product Information

• Purity: 95%