2-amino-2-(oxolan-3-yl)acetamide hydrochloride

• ChemBase ID: 245554
• Molecular Formular: C6H13ClN2O2
• Molecular Mass: 180.63262
• Monoisotopic Mass: 180.06655535
• SMILES: C(=O)(C(C1COCC1)N)N.Cl
• Canonical SMILES: NC(=O)C(C1COCC1)N.Cl
• InChI: InChI=1S/C6H12N2O2.ClH/c7-5(6(8)9)4-1-2-10-3-4;/h4-5H,1-3,7H2,(H2,8,9);1H
• InChIKey: WILGGNFHYBGKNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD23144091
• PubChem SID: 164301464
• PubChem CID: 71757737

CALCULATED PROPERTIES

• Acid pKa: 16.094395
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.4042325
• LogD (pH = 7.4): -2.7923095
• Log P: -1.7236869
• Molar Refractivity: 36.1646 cm^3
• Polarizability: 14.520407 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.269

Product Information

• Purity: 95%