ethyl 2-[(2-methoxyethyl)(methyl)amino]acetate

• ChemBase ID: 59251
• Molecular Formular: C8H17NO3
• Molecular Mass: 175.22548
• Monoisotopic Mass: 175.12084341
• SMILES: C(=O)(CN(CCOC)C)OCC
• Canonical SMILES: COCCN(CC(=O)OCC)C
• InChI: InChI=1S/C8H17NO3/c1-4-12-8(10)7-9(2)5-6-11-3/h4-7H2,1-3H3
• InChIKey: LWNIBZYEXSCBHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(2-methoxyethyl)(methyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(2-methoxyethyl)(methyl)amino]acetate
• Synonyms: Ethyl N-(2-methoxyethyl)-N-methylglycinate

Database IDs

• MDL Number: MFCD11053036
• PubChem SID: 162064014
• PubChem CID: 21130086

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.71625435
• LogD (pH = 7.4): 0.09260352
• Log P: 0.123879276
• Molar Refractivity: 46.6339 cm^3
• Polarizability: 18.471376 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false