ChemSpider 2D Image | N-(2-Acetamidoethyl)-N-{[4-(methoxycarbonyl)-1-piperidinyl]sulfonyl}alanine | C14H25N3O7S

N-(2-Acetamidoethyl)-N-{[4-(methoxycarbonyl)-1-piperidinyl]sulfonyl}alanine

  • Molecular FormulaC14H25N3O7S
  • Average mass379.429 Da
  • Monoisotopic mass379.141327 Da
  • ChemSpider ID54493522

More details:






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

4-Piperidinecarboxylic acid, 1-[[[2-(acetylamino)ethyl](1-carboxyethyl)amino]sulfonyl]-, 4-methyl ester [ACD/Index Name]
N-(2-Acetamidoethyl)-N-{[4-(methoxycarbonyl)-1-piperidinyl]sulfonyl}alanin [German] [ACD/IUPAC Name]
N-(2-Acetamidoethyl)-N-{[4-(methoxycarbonyl)-1-piperidinyl]sulfonyl}alanine [ACD/IUPAC Name]
N-(2-Acétamidoéthyl)-N-{[4-(méthoxycarbonyl)-1-pipéridinyl]sulfonyl}alanine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.7±6.0 kJ/mol
Flash Point: 330.4±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.66
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 276.5±5.0 cm3

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