ChemSpider 2D Image | 2-Methyl-2-propanyl 3-[alanyl(cyclopropyl)amino]-1-pyrrolidinecarboxylate | C15H27N3O3

2-Methyl-2-propanyl 3-[alanyl(cyclopropyl)amino]-1-pyrrolidinecarboxylate

  • Molecular FormulaC15H27N3O3
  • Average mass297.393 Da
  • Monoisotopic mass297.205231 Da
  • ChemSpider ID28297191

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1354025-59-4 [RN]
1-Pyrrolidinecarboxylic acid, 3-[[(2S)-2-amino-1-oxopropyl]cyclopropylamino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[alanyl(cyclopropyl)amino]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[alanyl(cyclopropyl)amino]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-[Alanyl(cyclopropyl)amino]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-[(2S)-2-AMINO-N-CYCLOPROPYLPROPANAMIDO]PYRROLIDINE-1-CARBOXYLATE
3-[((S)-2-aminopropionyl)cyclopropylamino]pyrrolidine-1-carboxylic acid tert-butyl ester
3-[((S)-2-aminopropionyl)-cyclopropyl-amino]pyrrolidine-1-carboxylic acid tert-butyl ester
3-[((S)-2-Amino-propionyl)-cyclopropyl-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester
MFCD21092477
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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: 426.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 212.0±28.7 °C
Index of Refraction: 1.539
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.62
Polar Surface Area: 76 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 257.5±5.0 cm3

Click to predict properties on the Chemicalize site


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