ChemSpider 2D Image | 3-[({(3R)-1-[3-(4-Piperidinyl)propanoyl]-3-piperidinyl}carbonyl)amino]-3-(3-pyridinyl)propanoic acid | C22H32N4O4

3-[({(3R)-1-[3-(4-Piperidinyl)propanoyl]-3-piperidinyl}carbonyl)amino]-3-(3-pyridinyl)propanoic acid

  • Molecular FormulaC22H32N4O4
  • Average mass416.514 Da
  • Monoisotopic mass416.242371 Da
  • ChemSpider ID64857693

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-[({(3R)-1-[3-(4-Piperidinyl)propanoyl]-3-piperidinyl}carbonyl)amino]-3-(3-pyridinyl)propanoic acid [ACD/IUPAC Name]
3-[({(3R)-1-[3-(4-Piperidinyl)propanoyl]-3-piperidinyl}carbonyl)amino]-3-(3-pyridinyl)propansäure [German] [ACD/IUPAC Name]
3-Pyridinepropanoic acid, β-[[[(3R)-1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]carbonyl]amino]- [ACD/Index Name]
Acide 3-[({(3R)-1-[3-(4-pipéridinyl)propanoyl]-3-pipéridinyl}carbonyl)amino]-3-(3-pyridinyl)propanoïque [French] [ACD/IUPAC Name]
3-((R)-1-(3-(piperidin-4-yl)propanoyl)piperidine-3-carboxamido)-3-(pyridin-3-yl)propanoic acid
3-((R)-1-(3-(piperidin-4-yl)propanoyl)piperidine-3-carboxamido)-3-(pyridin-3-yl)propanoic acid(WXG02128)

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 719.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.4±3.0 kJ/mol
    Flash Point: 388.9±32.9 °C
    Index of Refraction: 1.555
    Molar Refractivity: 111.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: -0.21
    ACD/LogD (pH 5.5): -2.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 112 Å2
    Polarizability: 44.0±0.5 10-24cm3
    Surface Tension: 52.2±3.0 dyne/cm
    Molar Volume: 346.2±3.0 cm3

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