(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanamide

• ChemBase ID: 126229
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: O=C(N)[C@@H](N1C(=O)C[C@@H](CCC)C1)CC
• Canonical SMILES: CCC[C@H]1CN(C(=O)C1)[C@H](C(=O)N)CC
• InChI: InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1
• InChIKey: MSYKRHVOOPPJKU-BDAKNGLRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanamide
• IUPAC Traditional name: brivaracetam
• Synonyms: Brivaracetam

Database IDs

• PubChem SID: 162220569
• PubChem CID: 9837243
• CHEMBL: 607400
• Chemspider ID: 8012964
• Wikipedia Title: Brivaracetam

CALCULATED PROPERTIES

• Acid pKa: 16.294191
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.66050386
• LogD (pH = 7.4): 0.6605042
• Log P: 0.6605043
• Molar Refractivity: 57.7529 cm^3
• Polarizability: 22.69406 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Unscheduled (US)