methyl 2-(methylamino)butanoate

• ChemBase ID: 309712
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(C(NC)CC)OC
• Canonical SMILES: CCC(C(=O)OC)NC
• InChI: InChI=1S/C6H13NO2/c1-4-5(7-2)6(8)9-3/h5,7H,4H2,1-3H3
• InChIKey: INBBIXRVEUBDRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(methylamino)butanoate
• IUPAC Traditional name: methyl 2-(methylamino)butanoate
• Synonyms: methyl 2-(methylamino)butanoate

Database IDs

• MDL Number: MFCD12151004

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.702507
• LogD (pH = 7.4): 0.44294193
• Log P: 0.5222855
• Molar Refractivity: 34.565 cm^3
• Polarizability: 14.082125 Å^3
• Polar Surface Area: 38.33 Å^2