ChemSpider 2D Image | Benzyl isopropyl[(3S)-1-(L-valyl)-3-piperidinyl]carbamate | C21H33N3O3

Benzyl isopropyl[(3S)-1-(L-valyl)-3-piperidinyl]carbamate

  • Molecular FormulaC21H33N3O3
  • Average mass375.505 Da
  • Monoisotopic mass375.252197 Da
  • ChemSpider ID28300043

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzyl isopropyl[(3S)-1-(L-valyl)-3-piperidinyl]carbamate [ACD/IUPAC Name]
Benzyl-isopropyl[(3S)-1-(L-valyl)-3-piperidinyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-3-piperidinyl]-N-(1-methylethyl)-, phenylmethyl ester [ACD/Index Name]
Isopropyl[(3S)-1-(L-valyl)-3-pipéridinyl]carbamate de benzyle [French] [ACD/IUPAC Name]
[(S)-1-((S)-2-Amino-3-methylbutyryl)piperidin-3-yl]isopropylcarbamic acid benzyl ester
[(S)-1-((S)-2-Amino-3-methyl-butyryl)piperidin-3-yl]-isopropyl-carbamic acid benzyl ester
[(S)-1-((S)-2-Amino-3-methyl-butyryl)-piperidin-3-yl]-isopropyl-carbamic acid benzyl ester
1401666-32-7 [RN]
Benzyl ((S)-1-((S)-2-amino-3-methylbutanoyl)piperidin-3-yl)(isopropyl)carbamate
BENZYL N-[(3S)-1-[(2S)-2-AMINO-3-METHYLBUTANOYL]PIPERIDIN-3-YL]-N-(PROPAN-2-YL)CARBAMATE
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 270.0±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 6.09
ACD/KOC (pH 7.4): 59.93
Polar Surface Area: 76 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 335.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement