ChemSpider 2D Image | {1-[4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl]piperidin-4-yl}acetic acid | C18H26N2O5

{1-[4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl]piperidin-4-yl}acetic acid

  • Molecular FormulaC18H26N2O5
  • Average mass350.409 Da
  • Monoisotopic mass350.184174 Da
  • ChemSpider ID21801610

More details:

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

(1-{[4-(Isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]carbonyl}-4-piperidinyl)acetic acid [ACD/IUPAC Name]
(1-{[4-(Isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]carbonyl}-4-piperidinyl)essigsäure [German] [ACD/IUPAC Name]
[1-({3,5-dimethyl-4-[(propan-2-yloxy)carbonyl]-1H-pyrrol-2-yl}carbonyl)piperidin-4-yl]acetic acid
{1-[4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl]piperidin-4-yl}acetic acid
1142210-05-6 [RN]
2-(1-{3,5-dimethyl-4-[(propan-2-yloxy)carbonyl]-1H-pyrrole-2-carbonyl}piperidin-4-yl)acetic acid
4-Piperidineacetic 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-pipéridinyl)acétique [French] [ACD/IUPAC Name]
(1-([4-(ISOPROPOXYCARBONYL)-3,5-DIMETHYL-1H-PYRROL-2-YL]CARBONYL)PIPERIDIN-4-YL)ACETIC ACID
(1-{[4-(Isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]carbonyl}piperidin-4-yl)acetic acid
More...

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

MFCD12028289 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 608.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.0±3.0 kJ/mol
    Flash Point: 321.7±31.5 °C
    Index of Refraction: 1.552
    Molar Refractivity: 92.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.33
    ACD/LogD (pH 5.5): 0.95
    ACD/BCF (pH 5.5): 1.95
    ACD/KOC (pH 5.5): 32.59
    ACD/LogD (pH 7.4): -0.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 100 Å2
    Polarizability: 36.6±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 288.9±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement