tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate

• ChemBase ID: 289898
• Molecular Formular: C11H21NO2
• Molecular Mass: 199.28994
• Monoisotopic Mass: 199.15722892
• SMILES: O=C(N1C(C)(C)CCC1)OC(C)(C)C
• Canonical SMILES: O=C(N1CCCC1(C)C)OC(C)(C)C
• InChI: InChI=1S/C11H21NO2/c1-10(2,3)14-9(13)12-8-6-7-11(12,4)5/h6-8H2,1-5H3
• InChIKey: BQWREAOXJRHDQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate
• Synonyms: tert-Butyl 2,2-dimethylpyrrolidine-1-carboxylate

Database IDs

• CAS Number: 869527-80-0
• PubChem SID: 180675429
• PubChem CID: 57366408

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1932638
• LogD (pH = 7.4): 2.1932638
• Log P: 2.1932638
• Molar Refractivity: 56.2865 cm^3
• Polarizability: 22.16354 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%