ChemSpider 2D Image | 2-Methyl-2-propanyl 3-{[cyclopropyl(glycyl)amino]methyl}-1-pyrrolidinecarboxylate | C15H27N3O3

2-Methyl-2-propanyl 3-{[cyclopropyl(glycyl)amino]methyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC15H27N3O3
  • Average mass297.393 Da
  • Monoisotopic mass297.205231 Da
  • ChemSpider ID28297121

More details:

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

1353966-57-0 [RN]
1-Pyrrolidinecarboxylic acid, 3-[[(2-aminoacetyl)cyclopropylamino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[cyclopropyl(glycyl)amino]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[cyclopropyl(glycyl)amino]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-{[Cyclopropyl(glycyl)amino]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3-{[(2-Amino-acetyl)-cyclopropyl-amino]-methyl }-pyrrolidine-1-carboxylic acid tert-butyl ester
3-{[(2-Aminoacetyl)cyclopropylamino]methyl}pyrrolidine-1-carboxylic acid tert-butyl ester
3-{[(2-Amino-acetyl)-cyclopropyl-amino]-methyl}pyrrolidine-1-carboxylic acid tert-butyl ester
3-{[(2-Amino-acetyl)-cyclopropyl-amino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 433.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.9±24.0 °C
Index of Refraction: 1.541
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -2.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.57
Polar Surface Area: 76 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 256.9±5.0 cm3

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