ChemSpider 2D Image | {[2-(3-Carbamoyl-1-piperidinyl)-2-oxoethyl](phenyl)amino}acetic acid | C16H21N3O4

{[2-(3-Carbamoyl-1-piperidinyl)-2-oxoethyl](phenyl)amino}acetic acid

  • Molecular FormulaC16H21N3O4
  • Average mass319.356 Da
  • Monoisotopic mass319.153198 Da
  • ChemSpider ID21801055

More details:






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

{[2-(3-Carbamoyl-1-piperidinyl)-2-oxoethyl](phenyl)amino}acetic acid [ACD/IUPAC Name]
{[2-(3-Carbamoyl-1-piperidinyl)-2-oxoethyl](phenyl)amino}essigsäure [German] [ACD/IUPAC Name]
{[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl](phenyl)amino}acetic acid
1142211-92-4 [RN]
2-{[2-(3-CARBAMOYLPIPERIDIN-1-YL)-2-OXOETHYL](PHENYL)AMINO}ACETIC ACID
Acetic acid, 2-[[2-[3-(aminocarbonyl)-1-piperidinyl]-2-oxoethyl]phenylamino]- [ACD/Index Name]
Acide {[2-(3-carbamoyl-1-pipéridinyl)-2-oxoéthyl](phényl)amino}acétique [French] [ACD/IUPAC Name]
[(2-[3-(AMINOCARBONYL)PIPERIDIN-1-YL]-2-OXOETHYL)(PHENYL)AMINO]ACETIC ACID
[{2-[3-(Aminocarbonyl)piperidin-1-yl]-2-oxoethyl}(phenyl)amino]acetic acid
[{2-[3-(aminocarbonyl)piperidin-1-yl]-2-oxoethyl}(phenyl)amino]aceticacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 638.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.1±3.0 kJ/mol
    Flash Point: 340.0±31.5 °C
    Index of Refraction: 1.615
    Molar Refractivity: 84.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.35
    ACD/LogD (pH 5.5): -0.86
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.19
    ACD/LogD (pH 7.4): -2.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 33.3±0.5 10-24cm3
    Surface Tension: 66.6±3.0 dyne/cm
    Molar Volume: 240.7±3.0 cm3

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