ChemSpider 2D Image | 2-{[(Benzyloxy)carbonyl](methyl)amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoic acid (non-preferred name) | C18H25NO6

2-{[(Benzyloxy)carbonyl](methyl)amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoic acid (non-preferred name)

  • Molecular FormulaC18H25NO6
  • Average mass351.394 Da
  • Monoisotopic mass351.168182 Da
  • ChemSpider ID57470843

More details:

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

2-{[(Benzyloxy)carbonyl](methyl)amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoic acid (non-preferred name) [ACD/IUPAC Name]
2-{[(Benzyloxy)carbonyl](methyl)amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide 2-{[(benzyloxy)carbonyl](méthyl)amino}-5-[(2-méthyl-2-propanyl)oxy]-5-oxopentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
Glutamic acid, N-methyl-N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester [ACD/Index Name]
140837-98-5 [RN]
2-{[(BENZYLOXY)CARBONYL](METHYL)AMINO}-5-(TERT-BUTOXY)-5-OXOPENTANOIC ACID
42417-71-0 [RN]
MFCD00237356 [MDL number]
Z-N-Me-D-Glu(OtBu)-OH
Z-N-Me-Glu(OtBu)-OH

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

Density: 1.2±0.1 g/cm3
Boiling Point: 501.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 256.8±30.1 °C
Index of Refraction: 1.525
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 12.94
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 296.6±3.0 cm3

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