ChemSpider 2D Image | Methyl 1-[N-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-ylcarbonyl)-beta-alanyl]-4-piperidinecarboxylate | C22H28N4O4

Methyl 1-[N-(1,3,4,9-tetrahydro-2H-β-carbolin-2-ylcarbonyl)-β-alanyl]-4-piperidinecarboxylate

  • Molecular FormulaC22H28N4O4
  • Average mass412.482 Da
  • Monoisotopic mass412.211060 Da
  • ChemSpider ID21918576

More details:

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

1-[N-(1,3,4,9-Tétrahydro-2H-β-carbolin-2-ylcarbonyl)-β-alanyl]-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[1-oxo-3-[[(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)carbonyl]amino]propyl]-, methyl ester [ACD/Index Name]
Methyl 1-[N-(1,3,4,9-tetrahydro-2H-β-carbolin-2-ylcarbonyl)-β-alanyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-[N-(1,3,4,9-tetrahydro-2H-β-carbolin-2-ylcarbonyl)-β-alanyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1010911-64-4 [RN]
methyl 1-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)propanoyl]piperidine-4-carboxylate
methyl 1-[N-(1,3,4,9-tetrahydro-2H-b-carbolin-2-ylcarbonyl)-b-alanyl]piperidine-4-carboxylate
methyl 1-[N-(1,3,4,9-tetrahydro-2H-β-carbolin-2-ylcarbonyl)-β-alanyl]piperidine-4-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 670.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.4±3.0 kJ/mol
    Flash Point: 359.0±31.5 °C
    Index of Refraction: 1.621
    Molar Refractivity: 111.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): 2.13
    ACD/BCF (pH 5.5): 24.51
    ACD/KOC (pH 5.5): 343.60
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 24.51
    ACD/KOC (pH 7.4): 343.60
    Polar Surface Area: 95 Å2
    Polarizability: 44.3±0.5 10-24cm3
    Surface Tension: 60.2±3.0 dyne/cm
    Molar Volume: 317.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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