(4S)-4-aminooxolan-2-one hydrochloride

• ChemBase ID: 288482
• Molecular Formular: C4H8ClNO2
• Molecular Mass: 137.56482
• Monoisotopic Mass: 137.02435618
• SMILES: N[C@@H]1COC(=O)C1.Cl
• Canonical SMILES: N[C@H]1CC(=O)OC1.Cl
• InChI: InChI=1S/C4H7NO2.ClH/c5-3-1-4(6)7-2-3;/h3H,1-2,5H2;1H/t3-;/m0./s1
• InChIKey: MZYONVUDAOYDKV-DFWYDOINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-4-aminooxolan-2-one hydrochloride
• IUPAC Traditional name: (4S)-4-aminooxolan-2-one hydrochloride
• Synonyms: (S)-3-Amino-gamma-butyrolactone hydrochloride

Database IDs

• CAS Number: 117752-82-6
• PubChem SID: 180674013
• PubChem CID: 51064148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6317945
• LogD (pH = 7.4): -2.0784757
• Log P: -0.8763266
• Molar Refractivity: 23.1731 cm^3
• Polarizability: 9.7096 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%