2-{[(cyclopropylcarbamoyl)oxy]methyl}-2-methylpentyl carbamate

• ChemBase ID: 128111
• Molecular Formular: C12H22N2O4
• Molecular Mass: 258.31408
• Monoisotopic Mass: 258.15795719
• SMILES: O=C(OCC(C)(CCC)COC(=O)N)NC1CC1
• Canonical SMILES: CCCC(COC(=O)N)(COC(=O)NC1CC1)C
• InChI: InChI=1S/C12H22N2O4/c1-3-6-12(2,7-17-10(13)15)8-18-11(16)14-9-4-5-9/h9H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
• InChIKey: PTEUWWFEEPASRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(cyclopropylcarbamoyl)oxy]methyl}-2-methylpentyl carbamate
• IUPAC Traditional name: lorbamate
• Synonyms: Lorbamate

Database IDs

• CAS Number: 24353-88-6
• PubChem SID: 162222425
• PubChem CID: 32322
• Chemspider ID: 29962
• Unique Ingredient Identifier: J719A09W1G
• Wikipedia Title: Lorbamate

CALCULATED PROPERTIES

• Acid pKa: 14.862391
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6164935
• LogD (pH = 7.4): 1.6164935
• Log P: 1.6164935
• Molar Refractivity: 65.1446 cm^3
• Polarizability: 25.98241 Å^3
• Polar Surface Area: 90.65 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true