tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate

• ChemBase ID: 795741
• Molecular Formular: C10H21NO3
• Molecular Mass: 203.27864
• Monoisotopic Mass: 203.15214354
• SMILES: N(C(=O)OC(C)(C)C)[C@@H](CO)C(C)C
• Canonical SMILES: OC[C@@H](C(C)C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m0/s1
• InChIKey: OOQRRYDVICNJGC-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate
• IUPAC Traditional name: tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate
• Synonyms: (R)-tert-Butyl (1-hydroxy-3-Methylbutan-2-yl)carbaMate

Database IDs

• CAS Number: 106391-87-1

CALCULATED PROPERTIES

• Acid pKa: 14.498428
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4806068
• LogD (pH = 7.4): 1.4806067
• Log P: 1.4806068
• Molar Refractivity: 54.4985 cm^3
• Polarizability: 21.69024 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%