ChemSpider 2D Image | (4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(methylsulfanyl)-L-proline | C11H19NO4S

(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(methylsulfanyl)-L-proline

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID34066485
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(methylsulfanyl)-L-prolin [German] [ACD/IUPAC Name]
(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(methylsulfanyl)-L-proline [ACD/IUPAC Name]
(4S)-1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-(méthylsulfanyl)-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-(methylthio)-, 1-(1,1-dimethylethyl) ester, (2S,4S)- [ACD/Index Name]
(2S,4S)-1-(tert-butoxycarbonyl)-4-(methylthio)pyrrolidine-2-carboxylic acid
(2s,4s)-1-[(tert-butoxy)carbonyl]-4-(methylsulfanyl)pyrrolidine-2-carboxylic acid
(4S)-1-Boc-4-methylthiol-L-proline
188109-89-9 [RN]
MFCD23106230

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 401.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.6±6.0 kJ/mol
Flash Point: 196.7±28.7 °C
Index of Refraction: 1.538
Molar Refractivity: 66.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.65
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 211.8±5.0 cm3

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