ChemSpider 2D Image | TERT-BUTYL 3-[(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-METHOXY-3-OXOPROPYL]PIPERIDINE-1-CARBOXYLATE | C22H32N2O6

TERT-BUTYL 3-[(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-METHOXY-3-OXOPROPYL]PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC22H32N2O6
  • Average mass420.499 Da
  • Monoisotopic mass420.226044 Da
  • ChemSpider ID24958011

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1217521-20-4 [RN]
2-Methyl-2-propanyl 3-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxopropyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxopropyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[(2S)-2-{[(Benzyloxy)carbonyl]amino}-3-méthoxy-3-oxopropyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (αS)- [ACD/Index Name]
TERT-BUTYL 3-[(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-METHOXY-3-OXOPROPYL]PIPERIDINE-1-CARBOXYLATE
(S)-1-Boc-3-(2-Cbz-Amino-2-methoxycarbonyl-ethyl) piperidine
(S)-1-Boc-3-(2-Cbz-Amino-2-methoxycarbonyl-ethyl)piperidine
MFCD09991628
tert-Butyl 3-((S)-2-(((benzyloxy)carbonyl)amino)-3-methoxy-3-oxopropyl)piperidine-1-carboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 546.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.5±3.0 kJ/mol
    Flash Point: 284.2±25.9 °C
    Index of Refraction: 1.519
    Molar Refractivity: 110.9±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.78
    ACD/LogD (pH 5.5): 3.74
    ACD/BCF (pH 5.5): 409.82
    ACD/KOC (pH 5.5): 2580.47
    ACD/LogD (pH 7.4): 3.74
    ACD/BCF (pH 7.4): 409.71
    ACD/KOC (pH 7.4): 2579.75
    Polar Surface Area: 94 Å2
    Polarizability: 44.0±0.5 10-24cm3
    Surface Tension: 43.6±3.0 dyne/cm
    Molar Volume: 365.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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