methyl 2-[(2-methoxy-2-oxoethyl)(methyl)amino]acetate

• ChemBase ID: 243787
• Molecular Formular: C7H13NO4
• Molecular Mass: 175.18242
• Monoisotopic Mass: 175.0844579
• SMILES: C(=O)(CN(CC(=O)OC)C)OC
• Canonical SMILES: COC(=O)CN(CC(=O)OC)C
• InChI: InChI=1S/C7H13NO4/c1-8(4-6(9)11-2)5-7(10)12-3/h4-5H2,1-3H3
• InChIKey: RTKQGHBTUHGYNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(2-methoxy-2-oxoethyl)(methyl)amino]acetate
• IUPAC Traditional name: methyl 2-[(2-methoxy-2-oxoethyl)(methyl)amino]acetate
• Synonyms: methyl 2-[(2-methoxy-2-oxoethyl)(methyl)amino]acetate

Database IDs

• MDL Number: MFCD16153056
• PubChem SID: 164299697
• PubChem CID: 12770583

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5778973
• LogD (pH = 7.4): -0.5622786
• Log P: -0.5620758
• Molar Refractivity: 41.6955 cm^3
• Polarizability: 16.775362 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.381

Product Information

• Purity: 95%