1,3-oxazolidine-4-carboxylic acid hydrochloride

• ChemBase ID: 293094
• Molecular Formular: C4H8ClNO3
• Molecular Mass: 153.56422
• Monoisotopic Mass: 153.0192708
• SMILES: O=C(C1NCOC1)O.Cl
• Canonical SMILES: OC(=O)C1COCN1.Cl
• InChI: InChI=1S/C4H7NO3.ClH/c6-4(7)3-1-8-2-5-3;/h3,5H,1-2H2,(H,6,7);1H
• InChIKey: QDWFSTLUZHSBAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-oxazolidine-4-carboxylic acid hydrochloride
• IUPAC Traditional name: 1,3-oxazolidine-4-carboxylic acid hydrochloride
• Synonyms: Oxazolidine-4-carboxylic acid hydrochloride

Database IDs

• CAS Number: 162285-30-5
• MDL Number: MFCD06411242
• PubChem SID: 180678625
• PubChem CID: 45358660

CALCULATED PROPERTIES

• Acid pKa: 2.435626
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0704114
• LogD (pH = 7.4): -3.2043822
• Log P: -3.0696647
• Molar Refractivity: 24.4073 cm^3
• Polarizability: 10.240955 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%