ethyl 2-[(2-ethoxy-2-oxoethyl)(methyl)amino]acetate

• ChemBase ID: 108081
• Molecular Formular: C9H17NO4
• Molecular Mass: 203.23558
• Monoisotopic Mass: 203.11575803
• SMILES: CCOC(=O)CN(C)CC(=O)OCC
• Canonical SMILES: CCOC(=O)CN(CC(=O)OCC)C
• InChI: InChI=1S/C9H17NO4/c1-4-13-8(11)6-10(3)7-9(12)14-5-2/h4-7H2,1-3H3
• InChIKey: ODKKLRIGMTZMLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(2-ethoxy-2-oxoethyl)(methyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(2-ethoxy-2-oxoethyl)(methyl)amino]acetate
• Synonyms: DIETHYL N-METHYLIMINODIACETATE

Database IDs

• CAS Number: 5412-66-8
• PubChem SID: 162093894
• PubChem CID: 79432

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1357506
• LogD (pH = 7.4): 0.15133771
• Log P: 0.1515401
• Molar Refractivity: 51.1927 cm^3
• Polarizability: 20.423367 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206012

MP Biomedicals Rare Chemical collection