methyl 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate

• ChemBase ID: 797532
• Molecular Formular: C9H15NO4
• Molecular Mass: 201.2197
• Monoisotopic Mass: 201.10010797
• SMILES: N1(C(=O)CC(C1)C(=O)OC)CCOC
• Canonical SMILES: COCCN1CC(CC1=O)C(=O)OC
• InChI: InChI=1S/C9H15NO4/c1-13-4-3-10-6-7(5-8(10)11)9(12)14-2/h7H,3-6H2,1-2H3
• InChIKey: ZUFRWFKGEMSVJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
• IUPAC Traditional name: methyl 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
• Synonyms: Methyl 1-(2-Methoxyethyl)-2-oxopyrrolidine-4-carboxylate

Database IDs

• CAS Number: 1272755-99-3

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8783627
• LogD (pH = 7.4): -0.8783627
• Log P: -0.8783627
• Molar Refractivity: 49.0531 cm^3
• Polarizability: 19.348028 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 5

PROPERTIES

Product Information

• Purity: 97%