2-methoxy-N-[2-(pyrrolidin-2-yl)ethyl]acetamide

• ChemBase ID: 62139
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: C(=O)(NCCC1NCCC1)COC
• Canonical SMILES: COCC(=O)NCCC1CCCN1
• InChI: InChI=1S/C9H18N2O2/c1-13-7-9(12)11-6-4-8-3-2-5-10-8/h8,10H,2-7H2,1H3,(H,11,12)
• InChIKey: GHGFHKOJQJXQNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[2-(pyrrolidin-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-methoxy-N-[2-(pyrrolidin-2-yl)ethyl]acetamide
• Synonyms: 2-Methoxy-N-(2-pyrrolidin-2-yl-ethyl)-acetamide

Database IDs

• MDL Number: MFCD16621936
• PubChem SID: 162027878
• PubChem CID: 66509637

CALCULATED PROPERTIES

• Acid pKa: 15.609662
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.060301
• LogD (pH = 7.4): -3.966737
• Log P: -0.8196129
• Molar Refractivity: 50.617 cm^3
• Polarizability: 20.017399 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false