(3S)-3-hydroxypyrrolidin-2-one

• ChemBase ID: 69097
• Molecular Formular: C4H7NO2
• Molecular Mass: 101.10388
• Monoisotopic Mass: 101.04767847
• SMILES: N1C(=O)[C@H](CC1)O
• Canonical SMILES: O=C1NCC[C@@H]1O
• InChI: InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
• InChIKey: FRKGSNOMLIYPSH-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-hydroxypyrrolidin-2-one
• IUPAC Traditional name: (3S)-3-hydroxypyrrolidin-2-one
• Synonyms: (S)-3-Hydroxypyrrolidin-2-one

Database IDs

• CAS Number: 34368-52-0
• MDL Number: MFCD06796625
• PubChem SID: 162034826
• PubChem CID: 11029774

CALCULATED PROPERTIES

• Acid pKa: 13.054711
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5234692
• LogD (pH = 7.4): -1.5234702
• Log P: -1.5234692
• Molar Refractivity: 23.7065 cm^3
• Polarizability: 9.2818985 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%