ethyl 2-(morpholin-4-yl)-2-oxoacetate

• ChemBase ID: 72250
• Molecular Formular: C8H13NO4
• Molecular Mass: 187.19312
• Monoisotopic Mass: 187.0844579
• SMILES: C(=O)(N1CCOCC1)C(=O)OCC
• Canonical SMILES: CCOC(=O)C(=O)N1CCOCC1
• InChI: InChI=1S/C8H13NO4/c1-2-13-8(11)7(10)9-3-5-12-6-4-9/h2-6H2,1H3
• InChIKey: HBHBZMGEGJKXNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(morpholin-4-yl)-2-oxoacetate
• IUPAC Traditional name: ethyl 2-(morpholin-4-yl)-2-oxoacetate
• Synonyms: Ethyl morpholin-4-yl(oxo)acetate

Database IDs

• PubChem SID: 162104300
• PubChem CID: 3414011

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.10580716
• LogD (pH = 7.4): -0.10580716
• Log P: -0.10580716
• Molar Refractivity: 44.6464 cm^3
• Polarizability: 17.529295 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT