ChemSpider 2D Image | 3-[4-(tert-butoxycarbonyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid | C16H26N2O5

3-[4-(tert-butoxycarbonyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid

  • Molecular FormulaC16H26N2O5
  • Average mass326.388 Da
  • Monoisotopic mass326.184174 Da
  • ChemSpider ID21800892

More details:

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

1142215-09-5 [RN]
1-Piperazinecarboxylic acid, 4-[(3-carboxy-2,2-dimethylcyclopropyl)carbonyl]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
2,2-Dimethyl-3-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)carbonyl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
2,2-Dimethyl-3-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)carbonyl]cyclopropanecarboxylic acid [ACD/IUPAC Name]
3-[4-(tert-butoxycarbonyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
3-{4-[(tert-butoxy)carbonyl]piperazine-1-carbonyl}-2,2-dimethylcyclopropane-1-carboxylic acid
Acide 2,2-diméthyl-3-[(4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1-pipérazinyl)carbonyl]cyclopropanecarboxylique [French] [ACD/IUPAC Name]
2,2-dimethyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
3-((4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)-CARBONYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLIC ACID
3-(4-(tert-butoxycarbonyl)piperazine-1-carbonyl)-2,2-dimethylcyclopropanecarboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 490.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 82.9±6.0 kJ/mol
    Flash Point: 250.5±28.7 °C
    Index of Refraction: 1.528
    Molar Refractivity: 82.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.67
    ACD/LogD (pH 5.5): 0.78
    ACD/BCF (pH 5.5): 1.29
    ACD/KOC (pH 5.5): 20.77
    ACD/LogD (pH 7.4): -1.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 32.6±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 267.0±3.0 cm3

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