methyl 2-(N-methylformamido)acetate

• ChemBase ID: 292085
• Molecular Formular: C5H9NO3
• Molecular Mass: 131.12986
• Monoisotopic Mass: 131.05824315
• SMILES: O=C(OC)CN(C)C=O
• Canonical SMILES: CN(C=O)CC(=O)OC
• InChI: InChI=1S/C5H9NO3/c1-6(4-7)3-5(8)9-2/h4H,3H2,1-2H3
• InChIKey: YPHUWLXQOBCRNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(N-methylformamido)acetate
• IUPAC Traditional name: methyl 2-(N-methylformamido)acetate
• Synonyms: Methyl 2-(N-methylformamido)acetate

Database IDs

• CAS Number: 68892-06-8
• MDL Number: MFCD20529543
• PubChem SID: 180677616
• PubChem CID: 111692

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0077575
• LogD (pH = 7.4): -1.0077575
• Log P: -1.0077575
• Molar Refractivity: 30.6225 cm^3
• Polarizability: 12.024231 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%