ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-({(2R)-1-[(2S,4R)-2-(3-aminopropyl)-4-(2-naphthylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinecarboxylate | C38H50N4O5

2-Methyl-2-propanyl (2S)-2-({(2R)-1-[(2S,4R)-2-(3-aminopropyl)-4-(2-naphthylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinecarboxylate

  • Molecular FormulaC38H50N4O5
  • Average mass642.827 Da
  • Monoisotopic mass642.378113 Da
  • ChemSpider ID10020646

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-({(2R)-1-[(2S,4R)-2-(3-Aminopropyl)-4-(2-naphtylméthoxy)-1-pyrrolidinyl]-1-oxo-3-phényl-2-propanyl}carbamoyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 2-[[[(1R)-2-[(2S,4R)-2-(3-aminopropyl)-4-(2-naphthalenylmethoxy)-1-pyrrolidinyl]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-({(2R)-1-[(2S,4R)-2-(3-aminopropyl)-4-(2-naphthylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-({(2R)-1-[(2S,4R)-2-(3-aminopropyl)-4-(2-naphthylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidincarboxylat [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: 834.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 458.7±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 185.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 7.34
ACD/KOC (pH 5.5): 19.14
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 14.93
ACD/KOC (pH 7.4): 38.91
Polar Surface Area: 114 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 530.7±5.0 cm3

Click to predict properties on the Chemicalize site


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