ChemSpider 2D Image | (2S,4R)-tert-Butyl 4-(((benzyloxy)carbonyl)amino)-2-(hydroxymethyl)pyrrolidine-1-carboxylate | C18H26N2O5

(2S,4R)-tert-Butyl 4-(((benzyloxy)carbonyl)amino)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC18H26N2O5
  • Average mass350.409 Da
  • Monoisotopic mass350.184174 Da
  • ChemSpider ID27457123

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4R)-4-{[(Benzyloxy)carbonyl]amino}-2-(hydroxyméthyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(2S,4R)-tert-Butyl 4-(((benzyloxy)carbonyl)amino)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
1194057-63-0 [RN]
1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-4-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (2S,4R)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,4R)-4-{[(benzyloxy)carbonyl]amino}-2-(hydroxymethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,4R)-4-{[(benzyloxy)carbonyl]amino}-2-(hydroxymethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(2S,4R)-1-BOC-2-hydroxymethyl-4-CBZ-amino Pyrrolidine
(2s,4r)-4-benzyloxycarbonylamino-2-hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester
(2S,4R)-4-Benzyloxycarbonylamino-2-hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
(2S,4R)-tert-butyl 4-(benzyloxycarbonylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
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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: 510.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 262.3±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.21
ACD/KOC (pH 5.5): 574.17
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.21
ACD/KOC (pH 7.4): 574.16
Polar Surface Area: 88 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 287.2±5.0 cm3

Click to predict properties on the Chemicalize site


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