(5S)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 173778
• Molecular Formular: C4H6N2O2
• Molecular Mass: 114.10264
• Monoisotopic Mass: 114.04292744
• SMILES: N1C(=O)N[C@H](C1=O)C
• Canonical SMILES: O=C1N[C@H](C(=O)N1)C
• InChI: InChI=1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)/t2-/m0/s1
• InChIKey: VMAQYKGITHDWKL-REOHCLBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: (5S)-5-methylimidazolidine-2,4-dione
• Synonyms: (S)-5-Methylhydantoin

Database IDs

• CAS Number: 40856-73-3
• PubChem SID: 164229688
• PubChem CID: 6419931

CALCULATED PROPERTIES

• Acid pKa: 9.938543
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8814719
• LogD (pH = 7.4): -0.8826968
• Log P: -0.8814562
• Molar Refractivity: 25.54 cm^3
• Polarizability: 9.922667 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ethanol; Methanol; Water
• Apperance: White Solid
• Melting Point: 175-177°C

Safety Information

• Storage Condition: -20°C Freezer