ChemSpider 2D Image | 2-Methyl 1-(2-methyl-2-propanyl) (2S)-4-[2-amino-1-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-3-yl)ethyl]-5-oxo-1,2-pyrrolidinedicarboxylate | C26H35N3O7

2-Methyl 1-(2-methyl-2-propanyl) (2S)-4-[2-amino-1-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-3-yl)ethyl]-5-oxo-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC26H35N3O7
  • Average mass501.572 Da
  • Monoisotopic mass501.247498 Da
  • ChemSpider ID357302

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-4-[2-Amino-1-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1H-indol-3-yl)éthyl]-5-oxo-1,2-pyrrolidinedicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-[2-amino-1-[1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]ethyl]-5-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)- [ACD/Index Name]
2-Methyl 1-(2-methyl-2-propanyl) (2S)-4-[2-amino-1-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-3-yl)ethyl]-5-oxo-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-(2S)-4-[2-amino-1-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-3-yl)ethyl]-5-oxo-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]

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

NCI60_040735 [DBID]
NSC718164 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.5±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 131.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 7.07
ACD/KOC (pH 7.4): 57.58
Polar Surface Area: 130 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 396.7±7.0 cm3

Click to predict properties on the Chemicalize site


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