tert-butyl 4-hydroxy-2-oxopyrrolidine-1-carboxylate

• ChemBase ID: 289754
• Molecular Formular: C9H15NO4
• Molecular Mass: 201.2197
• Monoisotopic Mass: 201.10010797
• SMILES: O=C(N1C(=O)CC(O)C1)OC(C)(C)C
• Canonical SMILES: OC1CN(C(=O)C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-6(11)4-7(10)12/h6,11H,4-5H2,1-3H3
• InChIKey: GUVYWSACSIYEDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-hydroxy-2-oxopyrrolidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-hydroxy-2-oxopyrrolidine-1-carboxylate
• Synonyms: tert-Butyl 4-hydroxy-2-oxopyrrolidine-1-carboxylate

Database IDs

• CAS Number: 409341-03-3
• PubChem SID: 180675285
• PubChem CID: 9899129

CALCULATED PROPERTIES

• Acid pKa: 14.61969
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.16325365
• LogD (pH = 7.4): 0.16325362
• Log P: 0.16325365
• Molar Refractivity: 48.4605 cm^3
• Polarizability: 19.280365 Å^3
• Polar Surface Area: 66.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%