ChemSpider 2D Image | Benzyl ethyl{[1-(L-valyl)-4-piperidinyl]methyl}carbamate | C21H33N3O3

Benzyl ethyl{[1-(L-valyl)-4-piperidinyl]methyl}carbamate

  • Molecular FormulaC21H33N3O3
  • Average mass375.505 Da
  • Monoisotopic mass375.252197 Da
  • ChemSpider ID28300033

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1354002-23-5 [RN]
Benzyl ethyl{[1-(L-valyl)-4-piperidinyl]methyl}carbamate [ACD/IUPAC Name]
BENZYL N-({1-[(2S)-2-AMINO-3-METHYLBUTANOYL]PIPERIDIN-4-YL}METHYL)-N-ETHYLCARBAMATE
Benzyl-ethyl{[1-(L-valyl)-4-piperidinyl]methyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[1-[(2S)-2-amino-3-methyl-1-oxobutyl]-4-piperidinyl]methyl]-N-ethyl-, phenylmethyl ester [ACD/Index Name]
Éthyl{[1-(L-valyl)-4-pipéridinyl]méthyl}carbamate de benzyle [French] [ACD/IUPAC Name]
(S)-Benzyl ((1-(2-amino-3-methylbutanoyl)piperidin-4-yl)methyl)(ethyl)carbamate
[1-((S)-2-Amino-3-methyl-butyryl)-piperidin-4-ylmethyl ]-ethyl-carbamic acid benzyl ester
[1-((S)-2-Amino-3-methylbutyryl)piperidin-4-ylmethyl]ethylcarbamic acid benzyl ester
[1-((S)-2-Amino-3-methyl-butyryl)piperidin-4-ylmethyl]-ethyl-carbamic acid benzyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 528.4±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.4±28.2 °C
Index of Refraction: 1.536
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 7.68
ACD/KOC (pH 7.4): 70.87
Polar Surface Area: 76 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 341.2±3.0 cm3

Click to predict properties on the Chemicalize site


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