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

• ChemBase ID: 274399
• Molecular Formular: C6H13NO3
• Molecular Mass: 147.17232
• Monoisotopic Mass: 147.08954328
• SMILES: C(=O)(OC)CNCCOC
• Canonical SMILES: COCCNCC(=O)OC
• InChI: InChI=1S/C6H13NO3/c1-9-4-3-7-5-6(8)10-2/h7H,3-5H2,1-2H3
• InChIKey: DOYRRBSQRQWDHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11150211
• PubChem SID: 164330309
• PubChem CID: 28565694

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1496061
• LogD (pH = 7.4): -0.6290113
• Log P: -0.61597663
• Molar Refractivity: 36.5906 cm^3
• Polarizability: 14.810926 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.117

Product Information

• Purity: 95%