ChemSpider 2D Image | 1-(TERT-BUTOXYCARBONYL)-4-(ETHOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACID | C13H21NO6

1-(TERT-BUTOXYCARBONYL)-4-(ETHOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACID

  • Molecular FormulaC13H21NO6
  • Average mass287.309 Da
  • Monoisotopic mass287.136902 Da
  • ChemSpider ID57448133

More details:

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

1-(TERT-BUTOXYCARBONYL)-4-(ETHOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACID
1,3,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester [ACD/Index Name]
1309251-07-7 [RN]
4-(Ethoxycarbonyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
4-(Ethoxycarbonyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
Acide 4-(éthoxycarbonyl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3R,4R)-1-Boc-4-(Ethoxycarbonyl)pyrrolidine-3-Carboxylic Acid
1-[(tert-butoxy)carbonyl]-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid
595556-31-3 [RN]
MFCD09608021
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 405.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.1±6.0 kJ/mol
Flash Point: 199.0±28.7 °C
Index of Refraction: 1.499
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.03
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 233.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement