2-hydroxy-2-(oxolan-3-yl)acetamide

• ChemBase ID: 236673
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: C(=O)(C(C1COCC1)O)N
• Canonical SMILES: NC(=O)C(C1COCC1)O
• InChI: InChI=1S/C6H11NO3/c7-6(9)5(8)4-1-2-10-3-4/h4-5,8H,1-3H2,(H2,7,9)
• InChIKey: SZSBDIGYBBYHJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-2-(oxolan-3-yl)acetamide
• IUPAC Traditional name: 2-hydroxy-2-(oxolan-3-yl)acetamide
• Synonyms: 2-hydroxy-2-(oxolan-3-yl)acetamide

Database IDs

• MDL Number: MFCD16694088
• PubChem SID: 164292583
• PubChem CID: 62213596

CALCULATED PROPERTIES

• Acid pKa: 12.871805
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6168052
• LogD (pH = 7.4): -1.6168066
• Log P: -1.6168052
• Molar Refractivity: 34.5071 cm^3
• Polarizability: 13.671979 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): -1.974

Product Information

• Purity: 95%