ChemSpider 2D Image | Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-prolinate | C20H28N2O5

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-prolinate

  • Molecular FormulaC20H28N2O5
  • Average mass376.447 Da
  • Monoisotopic mass376.199829 Da
  • ChemSpider ID18807421

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

35084-69-6 [RN]
Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-prolinate [ACD/IUPAC Name]
Benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-, phenylmethyl ester [ACD/Index Name]
N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl-L-proline phenylmethyl ester
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-prolinate de benzyle [French] [ACD/IUPAC Name]
(S)-benzyl 1-((S)-2-((tert-butoxycarbonyl)amino)propanoyl)pyrrolidine-2-carboxylate
AKOS016035502
benzyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
BENZYL (2S)-1-[(2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]PROPANOYL]PYRROLIDINE-2-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: 531.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.9±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.20
ACD/KOC (pH 5.5): 1166.69
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.19
ACD/KOC (pH 7.4): 1166.61
Polar Surface Area: 85 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 321.1±3.0 cm3

Click to predict properties on the Chemicalize site


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