methyl 2-oxo-1,3-oxazolidine-5-carboxylate

• ChemBase ID: 243934
• Molecular Formular: C5H7NO4
• Molecular Mass: 145.11338
• Monoisotopic Mass: 145.03750771
• SMILES: C1(=O)OC(C(=O)OC)CN1
• Canonical SMILES: COC(=O)C1CNC(=O)O1
• InChI: InChI=1S/C5H7NO4/c1-9-4(7)3-2-6-5(8)10-3/h3H,2H2,1H3,(H,6,8)
• InChIKey: YOAIRDDVWDKCTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-oxo-1,3-oxazolidine-5-carboxylate
• IUPAC Traditional name: methyl 2-oxo-1,3-oxazolidine-5-carboxylate
• Synonyms: methyl 2-oxo-1,3-oxazolidine-5-carboxylate

Database IDs

• MDL Number: MFCD19217791
• PubChem SID: 164299844
• PubChem CID: 4292406

CALCULATED PROPERTIES

• Acid pKa: 12.318901
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.52301246
• LogD (pH = 7.4): -0.52301705
• Log P: -0.5230124
• Molar Refractivity: 29.6162 cm^3
• Polarizability: 12.108854 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.121

Product Information

• Purity: 95%