(2R)-3-methyl-1-oxobutan-2-yl N-tert-butylcarbamate

• ChemBase ID: 816091
• Molecular Formular: C10H19NO3
• Molecular Mass: 201.26276
• Monoisotopic Mass: 201.13649347
• SMILES: N(C(=O)O[C@@H](C=O)C(C)C)C(C)(C)C
• Canonical SMILES: O=C[C@@H](C(C)C)OC(=O)NC(C)(C)C
• InChI: InChI=1S/C10H19NO3/c1-7(2)8(6-12)14-9(13)11-10(3,4)5/h6-8H,1-5H3,(H,11,13)/t8-/m0/s1
• InChIKey: ZWOQTSOJXMXUFZ-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-3-methyl-1-oxobutan-2-yl N-tert-butylcarbamate
• IUPAC Traditional name: (2R)-3-methyl-1-oxobutan-2-yl N-tert-butylcarbamate
• Synonyms: (R)-TERT-BUTYL 3-METHYL-1-OXOBUTAN-2-YL CARBAMATE

Database IDs

• CAS Number: 106391-88-2

CALCULATED PROPERTIES

• Acid pKa: 14.785348
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6422651
• LogD (pH = 7.4): 1.6422651
• Log P: 1.6422651
• Molar Refractivity: 53.4405 cm^3
• Polarizability: 21.148417 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%