methyl 3-[(2-methoxyethyl)(methyl)amino]propanoate

• ChemBase ID: 33415
• Molecular Formular: C8H17NO3
• Molecular Mass: 175.22548
• Monoisotopic Mass: 175.12084341
• SMILES: C(=O)(CCN(CCOC)C)OC
• Canonical SMILES: COCCN(CCC(=O)OC)C
• InChI: InChI=1S/C8H17NO3/c1-9(6-7-11-2)5-4-8(10)12-3/h4-7H2,1-3H3
• InChIKey: XWWRGUHDMJJGMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-[(2-methoxyethyl)(methyl)amino]propanoate
• IUPAC Traditional name: methyl 3-[(2-methoxyethyl)(methyl)amino]propanoate
• Synonyms: Methyl 3-[(2-methoxyethyl)(methyl)amino]propanoate

Database IDs

• MDL Number: MFCD11696464
• PubChem SID: 160996722
• PubChem CID: 25219188

CALCULATED PROPERTIES

• Log P: 0.004084058
• Molar Refractivity: 46.5847 cm^3
• Polarizability: 18.471376 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.976971
• LogD (pH = 7.4): -1.2546426

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false