ChemSpider 2D Image | Benzyl cyclopropyl{[1-(L-valyl)-3-piperidinyl]methyl}carbamate | C22H33N3O3

Benzyl cyclopropyl{[1-(L-valyl)-3-piperidinyl]methyl}carbamate

  • Molecular FormulaC22H33N3O3
  • Average mass387.516 Da
  • Monoisotopic mass387.252197 Da
  • ChemSpider ID28300061

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1354024-57-9 [RN]
Benzyl cyclopropyl{[1-(L-valyl)-3-piperidinyl]methyl}carbamate [ACD/IUPAC Name]
BENZYL N-({1-[(2S)-2-AMINO-3-METHYLBUTANOYL]PIPERIDIN-3-YL}METHYL)-N-CYCLOPROPYLCARBAMATE
Benzyl-cyclopropyl{[1-(L-valyl)-3-piperidinyl]methyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[1-[(2S)-2-amino-3-methyl-1-oxobutyl]-3-piperidinyl]methyl]-N-cyclopropyl-, phenylmethyl ester [ACD/Index Name]
Cyclopropyl{[1-(L-valyl)-3-pipéridinyl]méthyl}carbamate de benzyle [French] [ACD/IUPAC Name]
[1-((S)-2-Amino-3-methyl-butyryl)-piperidin-3-ylmethyl ]-cyclopropyl-carbamic acid benzyl ester
[1-((S)-2-Amino-3-methylbutyryl)piperidin-3-ylmethyl]cyclopropylcarbamic acid benzyl ester
[1-((S)-2-Amino-3-methyl-butyryl)piperidin-3-ylmethyl]-cyclopropyl-carbamic acid benzyl ester
[1-((S)-2-Amino-3-methyl-butyryl)-piperidin-3-ylmethyl]-cyclopropyl-carbamic acid benzyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 548.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.6±28.2 °C
Index of Refraction: 1.575
Molar Refractivity: 110.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 5.98
ACD/KOC (pH 7.4): 59.25
Polar Surface Area: 76 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 332.8±5.0 cm3

Click to predict properties on the Chemicalize site


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