3-aminooxolane-3-carboxamide hydrochloride

• ChemBase ID: 245944
• Molecular Formular: C5H11ClN2O2
• Molecular Mass: 166.60604
• Monoisotopic Mass: 166.05090528
• SMILES: C1(C(=O)N)(N)CCOC1.Cl
• Canonical SMILES: NC(=O)C1(N)COCC1.Cl
• InChI: InChI=1S/C5H10N2O2.ClH/c6-4(8)5(7)1-2-9-3-5;/h1-3,7H2,(H2,6,8);1H
• InChIKey: RWJPTGICSXPQEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminooxolane-3-carboxamide hydrochloride
• IUPAC Traditional name: 3-aminooxolane-3-carboxamide hydrochloride
• Synonyms: 3-aminooxolane-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD23144183
• PubChem SID: 164301854
• PubChem CID: 71757835

CALCULATED PROPERTIES

• Acid pKa: 15.886494
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.213985
• LogD (pH = 7.4): -2.5199127
• Log P: -1.8250446
• Molar Refractivity: 31.4755 cm^3
• Polarizability: 12.694801 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.96

Product Information

• Purity: 95%