(4S)-4-hydroxypyrrolidin-2-one

• ChemBase ID: 816087
• Molecular Formular: C4H7NO2
• Molecular Mass: 101.10388
• Monoisotopic Mass: 101.04767847
• SMILES: N1C(=O)C[C@@H](C1)O
• Canonical SMILES: O[C@H]1CC(=O)NC1
• InChI: InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
• InChIKey: IOGISYQVOGVIEU-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-4-hydroxypyrrolidin-2-one
• IUPAC Traditional name: (4S)-4-hydroxypyrrolidin-2-one
• Synonyms: (S)-4-HYDROXY-2-PYRROLIDINONE

Database IDs

• CAS Number: 68108-18-9

CALCULATED PROPERTIES

• Acid pKa: 14.054872
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4986055
• LogD (pH = 7.4): -1.4986055
• Log P: -1.4986055
• Molar Refractivity: 23.4654 cm^3
• Polarizability: 9.2818985 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%