methyl 3-ethoxy-2-(methylamino)propanoate

• ChemBase ID: 237999
• Molecular Formular: C7H15NO3
• Molecular Mass: 161.1989
• Monoisotopic Mass: 161.10519335
• SMILES: C(=O)(C(NC)COCC)OC
• Canonical SMILES: CCOCC(C(=O)OC)NC
• InChI: InChI=1S/C7H15NO3/c1-4-11-5-6(8-2)7(9)10-3/h6,8H,4-5H2,1-3H3
• InChIKey: OCAJGQKUZCEOIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-ethoxy-2-(methylamino)propanoate
• IUPAC Traditional name: methyl 3-ethoxy-2-(methylamino)propanoate
• Synonyms: methyl 3-ethoxy-2-(methylamino)propanoate

Database IDs

• MDL Number: MFCD16142873
• PubChem SID: 164293909
• PubChem CID: 61937180

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.59700257
• LogD (pH = 7.4): -0.060935747
• Log P: -0.047212373
• Molar Refractivity: 41.0845 cm^3
• Polarizability: 16.639622 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.039

Product Information

• Purity: 95%