ethyl 2-(4-methoxy-2-oxopyrrolidin-1-yl)acetate

• ChemBase ID: 796032
• Molecular Formular: C9H15NO4
• Molecular Mass: 201.2197
• Monoisotopic Mass: 201.10010797
• SMILES: O(C(=O)CN1C(=O)CC(C1)OC)CC
• Canonical SMILES: CCOC(=O)CN1CC(CC1=O)OC
• InChI: InChI=1S/C9H15NO4/c1-3-14-9(12)6-10-5-7(13-2)4-8(10)11/h7H,3-6H2,1-2H3
• InChIKey: BRBOLLXSAAMIEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-methoxy-2-oxopyrrolidin-1-yl)acetate
• IUPAC Traditional name: ethyl 2-(4-methoxy-2-oxopyrrolidin-1-yl)acetate
• Synonyms: ethyl 2-(4-methoxy-2-oxopyrrolidin-1-yl)acetate

Database IDs

• CAS Number: 110853-09-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.65111756
• LogD (pH = 7.4): -0.65111756
• Log P: -0.65111756
• Molar Refractivity: 48.7156 cm^3
• Polarizability: 19.348028 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%