methyl 3-amino-2-methylpropanoate hydrochloride

• ChemBase ID: 268091
• Molecular Formular: C5H12ClNO2
• Molecular Mass: 153.60728
• Monoisotopic Mass: 153.05565631
• SMILES: C(=O)(C(CN)C)OC.Cl
• Canonical SMILES: CC(C(=O)OC)CN.Cl
• InChI: InChI=1S/C5H11NO2.ClH/c1-4(3-6)5(7)8-2;/h4H,3,6H2,1-2H3;1H
• InChIKey: RVPWGKBKRYTOHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-amino-2-methylpropanoate hydrochloride
• IUPAC Traditional name: methyl 3-amino-2-methylpropanoate hydrochloride
• Synonyms: methyl 3-amino-2-methylpropanoate hydrochloride

Database IDs

• MDL Number: MFCD16547718
• PubChem SID: 164324001
• PubChem CID: 13063725

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1872625
• LogD (pH = 7.4): -2.1029503
• Log P: -0.22158249
• Molar Refractivity: 30.0464 cm^3
• Polarizability: 12.24825 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): -0.09

Product Information

• Purity: 95%