tert-butyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate

• ChemBase ID: 309112
• Molecular Formular: C11H19NO3
• Molecular Mass: 213.27346
• Monoisotopic Mass: 213.13649347
• SMILES: N1(C(=O)OC(C)(C)C)C(C(=O)CC1)(C)C
• Canonical SMILES: O=C(N1CCC(=O)C1(C)C)OC(C)(C)C
• InChI: InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-6-8(13)11(12,4)5/h6-7H2,1-5H3
• InChIKey: HCBZLIKTIBTGNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
• Synonyms: tert-butyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate

Database IDs

• CAS Number: 1215295-96-7
• MDL Number: MFCD14702876

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8377953
• LogD (pH = 7.4): 1.8377953
• Log P: 1.8377953
• Molar Refractivity: 56.6717 cm^3
• Polarizability: 22.264418 Å^3
• Polar Surface Area: 46.61 Å^2