methyl 2-(methylamino)propanoate

• ChemBase ID: 309738
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C(=O)(C(NC)C)OC
• Canonical SMILES: CNC(C(=O)OC)C
• InChI: InChI=1S/C5H11NO2/c1-4(6-2)5(7)8-3/h4,6H,1-3H3
• InChIKey: PQIUHUKRJAOTLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(methylamino)propanoate
• IUPAC Traditional name: methyl 2-(methylamino)propanoate
• Synonyms: methyl N-methylalaninate

Database IDs

• MDL Number: MFCD12148930

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0848235
• LogD (pH = 7.4): -0.057623435
• Log P: -2.36865E-4
• Molar Refractivity: 30.041 cm^3
• Polarizability: 12.24825 Å^3
• Polar Surface Area: 38.33 Å^2