tert-butyl N-[(1R)-1-[methoxy(methyl)carbamoyl]ethyl]carbamate

• ChemBase ID: 802529
• Molecular Formular: C10H20N2O4
• Molecular Mass: 232.2768
• Monoisotopic Mass: 232.14230713
• SMILES: N(C(=O)OC(C)(C)C)[C@@H](C(=O)N(C)OC)C
• Canonical SMILES: CON(C(=O)[C@H](NC(=O)OC(C)(C)C)C)C
• InChI: InChI=1S/C10H20N2O4/c1-7(8(13)12(5)15-6)11-9(14)16-10(2,3)4/h7H,1-6H3,(H,11,14)/t7-/m1/s1
• InChIKey: PWQIGBOSLQHOBT-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(1R)-1-[methoxy(methyl)carbamoyl]ethyl]carbamate
• IUPAC Traditional name: tert-butyl N-[(1R)-1-[methoxy(methyl)carbamoyl]ethyl]carbamate
• Synonyms: (R)-TERT-BUTYL 1-(METHOXY(METHYL)AMINO)-1-OXOPROPAN-2-YLCARBAMATE

Database IDs

• CAS Number: 146553-06-2

CALCULATED PROPERTIES

• Acid pKa: 13.634046
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.70489854
• LogD (pH = 7.4): 0.7048983
• Log P: 0.70489854
• Molar Refractivity: 58.3361 cm^3
• Polarizability: 23.040113 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%