ChemSpider 2D Image | 1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[1,2-d]tetrazole]-6'-carboxylic acid | C14H21N5O4

1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[1,2-d]tetrazole]-6'-carboxylic acid

  • Molecular FormulaC14H21N5O4
  • Average mass323.348 Da
  • Monoisotopic mass323.159363 Da
  • ChemSpider ID28600687

More details:

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

1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[1,2-d]tetrazole]-6'-carboxylic acid [ACD/IUPAC Name]
Spiro[piperidine-4,7'-[7H]pyrrolo[1,2-d]tetrazole]-1,6'-dicarboxylic acid, 5',6'-dihydro-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
1-(tert-butoxycarbonyl)-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[1,2-d]tetrazole]-6'-carboxylic acid
1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[5,6-dihydropyrrolo[2,1-e]tetrazole-7,4'-piperidine]-6-carboxylic acid
1-[(tert-butoxy)carbonyl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[1,2-d][1,2,3,4]tetrazole]-6'-carboxylic acid
1250995-82-4 [RN]
AM804884
MFCD18792501

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 566.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.5±3.0 kJ/mol
    Flash Point: 296.6±30.1 °C
    Index of Refraction: 1.678
    Molar Refractivity: 80.9±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.03
    ACD/LogD (pH 5.5): -1.76
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 110 Å2
    Polarizability: 32.1±0.5 10-24cm3
    Surface Tension: 61.6±7.0 dyne/cm
    Molar Volume: 214.6±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement