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Search term: WBPQPMZAPYOHPF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-{[(Benzyloxy)carbonyl]amino}-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)propanoic acid | C21H30N2O6

3-{[(Benzyloxy)carbonyl]amino}-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)propanoic acid

  • Molecular FormulaC21H30N2O6
  • Average mass406.473 Da
  • Monoisotopic mass406.210388 Da
  • ChemSpider ID20194019

More details:

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

3-{[(Benzyloxy)carbonyl]amino}-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)propanoic acid [ACD/IUPAC Name]
3-{[(Benzyloxy)carbonyl]amino}-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)propansäure [German] [ACD/IUPAC Name]
4-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-β-[[(phenylmethoxy)carbonyl]amino]- [ACD/Index Name]
Acide 3-{[(benzyloxy)carbonyl]amino}-3-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-pipéridinyl)propanoïque [French] [ACD/IUPAC Name]
3-[1-(tert-butoxycarbonyl)piperidin-4-yl]-3-[(bentyloxycarbonyl)amino]propanoic acid
3-[1-(tert-butoxycarbonyl)piperidin-4-yl]-3-[(benzyloxycarbonyl)amino]propanoic acid
3-{[(BENZYLOXY)CARBONYL]AMINO}-3-[1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]PROPANOIC ACID
3-{[(BENZYLOXY)CARBONYL]AMINO}-3-{1-[(TERT-BUTOXY)CARBONYL]PIPERIDIN-4-YL}PROPANOIC ACID
372144-07-5 [RN]
4-(1-BENZYLOXYCARBONYLAMINO-2-CARBOXY-ETHYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
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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: 581.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.5±25.9 °C
Index of Refraction: 1.541
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 6.68
ACD/KOC (pH 5.5): 58.52
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 337.4±3.0 cm3

Click to predict properties on the Chemicalize site


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