methyl 2-amino-3-methoxypropanoate hydrochloride

• ChemBase ID: 247815
• Molecular Formular: C5H12ClNO3
• Molecular Mass: 169.60668
• Monoisotopic Mass: 169.05057093
• SMILES: C(=O)(C(N)COC)OC.Cl
• Canonical SMILES: COCC(C(=O)OC)N.Cl
• InChI: InChI=1S/C5H11NO3.ClH/c1-8-3-4(6)5(7)9-2;/h4H,3,6H2,1-2H3;1H
• InChIKey: DXOQFRDEFFKRDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164303725
• PubChem CID: 22492067

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.065183
• LogD (pH = 7.4): -0.91703886
• Log P: -0.8366007
• Molar Refractivity: 31.5613 cm^3
• Polarizability: 12.986307 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128°C
• Hydrophobicity(logP): -0.848

Product Information

• Purity: 95%