ChemSpider 2D Image | Benzyl isopropyl{[(2S)-1-(L-valyl)-2-pyrrolidinyl]methyl}carbamate | C21H33N3O3

Benzyl isopropyl{[(2S)-1-(L-valyl)-2-pyrrolidinyl]methyl}carbamate

  • Molecular FormulaC21H33N3O3
  • Average mass375.505 Da
  • Monoisotopic mass375.252197 Da
  • ChemSpider ID28300040

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1401668-45-8 [RN]
Benzyl isopropyl{[(2S)-1-(L-valyl)-2-pyrrolidinyl]methyl}carbamate [ACD/IUPAC Name]
BENZYL N-{[(2S)-1-[(2S)-2-AMINO-3-METHYLBUTANOYL]PYRROLIDIN-2-YL]METHYL}-N-(PROPAN-2-YL)CARBAMATE
Benzyl-isopropyl{[(2S)-1-(L-valyl)-2-pyrrolidinyl]methyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[(2S)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]methyl]-N-(1-methylethyl)-, phenylmethyl ester [ACD/Index Name]
Isopropyl{[(2S)-1-(L-valyl)-2-pyrrolidinyl]méthyl}carbamate de benzyle [French] [ACD/IUPAC Name]
[(S)-1-((S)-2-Amino-3-methyl-butyryl)-pyrrolidin-2-ylmethyl ]-isopropyl-carbamic acid benzyl ester
[(S)-1-((S)-2-Amino-3-methylbutyryl)pyrrolidin-2-ylmethyl]isopropylcarbamic acid benzyl ester
[(S)-1-((S)-2-Amino-3-methyl-butyryl)pyrrolidin-2-ylmethyl]-isopropyl-carbamic acid benzyl ester
[(S)-1-((S)-2-Amino-3-methyl-butyryl)-pyrrolidin-2-ylmethyl]-isopropyl-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: 522.1±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.6±28.2 °C
Index of Refraction: 1.537
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: 3.43
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 14.55
ACD/KOC (pH 7.4): 128.91
Polar Surface Area: 76 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 340.4±3.0 cm3

Click to predict properties on the Chemicalize site


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