ChemSpider 2D Image | Ethyl N-[(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]-N-[(1R,2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopentyl]glycinate | C21H32N4O7

Ethyl N-[(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]-N-[(1R,2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopentyl]glycinate

  • Molecular FormulaC21H32N4O7
  • Average mass452.501 Da
  • Monoisotopic mass452.227112 Da
  • ChemSpider ID30653020

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Ethyl N-[(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]-N-[(1R,2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopentyl]glycinate [ACD/IUPAC Name]
Ethyl-N-[(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]-N-[(1R,2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopentyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)acetyl]-N-[(1R,2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]cyclopentyl]-, ethyl ester [ACD/Index Name]
N-[2-(5-Méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acétyl]-N-[(1R,2S)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)cyclopentyl]glycinate d'éthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.555
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.90
ACD/KOC (pH 5.5): 138.66
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.85
ACD/KOC (pH 7.4): 137.77
Polar Surface Area: 134 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 355.2±5.0 cm3

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