5-[2-(morpholin-4-yl)-2-oxoethyl]imidazolidine-2,4-dione

• ChemBase ID: 252829
• Molecular Formular: C9H13N3O4
• Molecular Mass: 227.21722
• Monoisotopic Mass: 227.09060591
• SMILES: N1C(=O)NC(C1=O)CC(=O)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)CC1NC(=O)NC1=O
• InChI: InChI=1S/C9H13N3O4/c13-7(12-1-3-16-4-2-12)5-6-8(14)11-9(15)10-6/h6H,1-5H2,(H2,10,11,14,15)
• InChIKey: MOEWNZSTUMZZHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(morpholin-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[2-(morpholin-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
• Synonyms: 5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD05718467
• PubChem SID: 164308739
• PubChem CID: 4737195

CALCULATED PROPERTIES

• Acid pKa: 9.62892
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.101391
• LogD (pH = 7.4): -2.103886
• Log P: -2.1013591
• Molar Refractivity: 52.2655 cm^3
• Polarizability: 20.382465 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.883

Product Information

• Purity: 95%