ChemSpider 2D Image | Methyl (4R)-1-[4-(cycloheptylamino)-4-oxobutanoyl]-4-hydroxy-L-prolinate | C17H28N2O5

Methyl (4R)-1-[4-(cycloheptylamino)-4-oxobutanoyl]-4-hydroxy-L-prolinate

  • Molecular FormulaC17H28N2O5
  • Average mass340.415 Da
  • Monoisotopic mass340.199829 Da
  • ChemSpider ID29632577

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-[4-(Cycloheptylamino)-4-oxobutanoyl]-4-hydroxy-L-prolinate de méthyle [French] [ACD/IUPAC Name]
L-Proline, 1-[4-(cycloheptylamino)-1,4-dioxobutyl]-4-hydroxy-, methyl ester, (4R)- [ACD/Index Name]
Methyl (4R)-1-[4-(cycloheptylamino)-4-oxobutanoyl]-4-hydroxy-L-prolinate [ACD/IUPAC Name]
Methyl-(4R)-1-[4-(cycloheptylamino)-4-oxobutanoyl]-4-hydroxy-L-prolinat [German] [ACD/IUPAC Name]
methyl (2S*,4R*)-1-[4-(cycloheptylamino)-4-oxobutanoyl]-4-hydroxypyrrolidine-2-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 309.7±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 47.15
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 47.15
Polar Surface Area: 96 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 281.4±5.0 cm3

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