ChemSpider 2D Image | 4-[(2-Hydroxyphenyl)amino]-4-oxo-2-({4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}methyl)butanoic acid | C21H30N4O5

4-[(2-Hydroxyphenyl)amino]-4-oxo-2-({4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}methyl)butanoic acid

  • Molecular FormulaC21H30N4O5
  • Average mass418.487 Da
  • Monoisotopic mass418.221619 Da
  • ChemSpider ID30665511

More details:

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

1-Piperazinepropanoic acid, α-[2-[(2-hydroxyphenyl)amino]-2-oxoethyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]- [ACD/Index Name]
4-[(2-Hydroxyphenyl)amino]-4-oxo-2-({4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}methyl)butanoic acid [ACD/IUPAC Name]
4-[(2-Hydroxyphenyl)amino]-4-oxo-2-({4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}methyl)butansäure [German] [ACD/IUPAC Name]
Acide 4-[(2-hydroxyphényl)amino]-4-oxo-2-({4-[2-oxo-2-(1-pyrrolidinyl)éthyl]-1-pipérazinyl}méthyl)butanoïque [French] [ACD/IUPAC Name]
1374536-41-0 [RN]
3-[(2-HYDROXYPHENYL)CARBAMOYL]-2-({4-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]PIPERAZIN-1-YL}METHYL)PROPANOIC ACID
4-(2-hydroxyanilino)-4-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]butanoic acid
4-[(2-hydroxyphenyl)amino]-4-oxo-2-({4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}methyl)butanoic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 716.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.0±3.0 kJ/mol
    Flash Point: 387.3±32.9 °C
    Index of Refraction: 1.615
    Molar Refractivity: 110.7±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): -1.81
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 113 Å2
    Polarizability: 43.9±0.5 10-24cm3
    Surface Tension: 64.5±3.0 dyne/cm
    Molar Volume: 317.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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