ChemSpider 2D Image | (2S)-Cyclohexyl[(N-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl)amino]acetic acid | C17H30N2O5

(2S)-Cyclohexyl[(N-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl)amino]acetic acid

  • Molecular FormulaC17H30N2O5
  • Average mass342.431 Da
  • Monoisotopic mass342.215485 Da
  • ChemSpider ID44209305
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-Cyclohexyl[(N-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl)amino]acetic acid [ACD/IUPAC Name]
(2S)-Cyclohexyl[(N-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl)amino]essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-cyclohexyl[(N-méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-alanyl)amino]acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, α-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-1-oxopropyl]amino]-, (αS)- [ACD/Index Name]
(2S)-[[N-(tert-Butoxycarbonyl)-N-methyl-L-alanyl]amino](cyclohexyl)ethanoic acid
(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}propanamido]-2-cyclohexylacetic acid
(S)-2-((S)-2-((tert-butoxycarbonyl)(methyl)amino)propanamido)-2-cyclohexylacetic acid
894789-27-6 [RN]
CS-14865
MFCD28411459

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

Density: 1.1±0.1 g/cm3
Boiling Point: 524.7±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.4±6.0 kJ/mol
Flash Point: 271.1±28.2 °C
Index of Refraction: 1.502
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.00
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 302.3±3.0 cm3

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