ethyl 2-(methylamino)butanoate

• ChemBase ID: 245044
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(=O)(C(NC)CC)OCC
• Canonical SMILES: CCOC(=O)C(NC)CC
• InChI: InChI=1S/C7H15NO2/c1-4-6(8-3)7(9)10-5-2/h6,8H,4-5H2,1-3H3
• InChIKey: ASWJEYHEBZLUCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12151101
• PubChem SID: 164300954
• PubChem CID: 59767891

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3452765
• LogD (pH = 7.4): 0.79982555
• Log P: 0.87909347
• Molar Refractivity: 39.3136 cm^3
• Polarizability: 15.9186325 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.96

Product Information

• Purity: 95%