methyl 3-methoxy-2-(methylamino)propanoate

• ChemBase ID: 239349
• Molecular Formular: C6H13NO3
• Molecular Mass: 147.17232
• Monoisotopic Mass: 147.08954328
• SMILES: C(=O)(C(NC)COC)OC
• Canonical SMILES: COCC(C(=O)OC)NC
• InChI: InChI=1S/C6H13NO3/c1-7-5(4-9-2)6(8)10-3/h5,7H,4H2,1-3H3
• InChIKey: GMLJQHNLDHDNPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16142759
• PubChem SID: 164295259
• PubChem CID: 13945167

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.954246
• LogD (pH = 7.4): -0.4177626
• Log P: -0.40402034
• Molar Refractivity: 36.3359 cm^3
• Polarizability: 14.810926 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.428

Product Information

• Purity: 95%