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

• ChemBase ID: 24403
• Molecular Formular: C8H17NO3
• Molecular Mass: 175.22548
• Monoisotopic Mass: 175.12084341
• SMILES: C(=O)(CCNCCOC)OCC
• Canonical SMILES: COCCNCCC(=O)OCC
• InChI: InChI=1S/C8H17NO3/c1-3-12-8(10)4-5-9-6-7-11-2/h9H,3-7H2,1-2H3
• InChIKey: YRZBCDDHSOESLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01476077
• PubChem SID: 160987710
• PubChem CID: 12643415

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0798047
• LogD (pH = 7.4): -1.640569
• Log P: -0.022155924
• Molar Refractivity: 46.0386 cm^3
• Polarizability: 18.471376 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false