ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-{[4-({(2R)-3-methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate | C29H44N4O5

2-Methyl-2-propanyl (2S)-2-{[4-({(2R)-3-methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC29H44N4O5
  • Average mass528.683 Da
  • Monoisotopic mass528.331177 Da
  • ChemSpider ID71291991

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{[4-({(2R)-3-Méthyl-1-[(4-méthylbenzyl)amino]-1-oxo-2-butanyl}carbamoyl)-1-pipéridinyl]carbonyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[4-[[[(1R)-2-methyl-1-[[[(4-methylphenyl)methyl]amino]carbonyl]propyl]amino]carbonyl]-1-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-{[4-({(2R)-3-methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-{[4-({(2R)-3-methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 763.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.3±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 144.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.22
ACD/KOC (pH 5.5): 1771.04
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.22
ACD/KOC (pH 7.4): 1771.04
Polar Surface Area: 108 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 458.0±3.0 cm3

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