ChemSpider 2D Image | 1-{[4-(Isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]carbonyl}-4-piperidinecarboxylic acid | C17H24N2O5

1-{[4-(Isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]carbonyl}-4-piperidinecarboxylic acid

  • Molecular FormulaC17H24N2O5
  • Average mass336.383 Da
  • Monoisotopic mass336.168518 Da
  • ChemSpider ID21801598

More details:

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

1-({3,5-dimethyl-4-[(propan-2-yloxy)carbonyl]-1H-pyrrol-2-yl}carbonyl)piperidine-4-carboxylic acid
1-{[4-(Isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]carbonyl}-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-{[4-(Isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]carbonyl}-4-piperidinecarboxylic acid [ACD/IUPAC Name]
1142209-79-7 [RN]
4-Piperidinecarboxylic acid, 1-[[3,5-dimethyl-4-[(1-methylethoxy)carbonyl]-1H-pyrrol-2-yl]carbonyl]- [ACD/Index Name]
Acide 1-{[4-(isopropoxycarbonyl)-3,5-diméthyl-1H-pyrrol-2-yl]carbonyl}-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
[1142209-79-7] [RN]
1-([4-(ISOPROPOXYCARBONYL)-3,5-DIMETHYL-1H-PYRROL-2-YL]CARBONYL)PIPERIDINE-4-CARBOXYLIC ACID
1-(3,5-dimethyl-4-propan-2-yloxycarbonyl-1H-pyrrole-2-carbonyl)piperidine-4-carboxylic acid
1-(4-(Isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-4-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12028277 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 596.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.5±3.0 kJ/mol
    Flash Point: 314.6±30.1 °C
    Index of Refraction: 1.564
    Molar Refractivity: 87.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.06
    ACD/LogD (pH 5.5): 0.58
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.48
    ACD/LogD (pH 7.4): -1.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 100 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 53.1±3.0 dyne/cm
    Molar Volume: 268.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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