ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)-L-alanine | C21H30N2O6

N-[(Benzyloxy)carbonyl]-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)-L-alanine

  • Molecular FormulaC21H30N2O6
  • Average mass406.473 Da
  • Monoisotopic mass406.210388 Da
  • ChemSpider ID57381049

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1820583-71-8 [RN]
4-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α-[[(phenylmethoxy)carbonyl]amino]-, (αS)- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)-L-alanin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)-L-alanine [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-pipéridinyl)-L-alanine [French] [ACD/IUPAC Name]
(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-[1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]PROPANOIC ACID
(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-{1-[(TERT-BUTOXY)CARBONYL]PIPERIDIN-4-YL}PROPANOIC ACID
(S)-2-(((Benzyloxy)carbonyl)amino)-3-(1-(tert-butoxycarbonyl)piperidin-4-yl)propanoic acid
(s)-2-(cbz-amino)-3-(1-boc-piperidin-4-yl)propanoic acid
MFCD27991361

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

Density: 1.2±0.1 g/cm3
Boiling Point: 578.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.5±25.9 °C
Index of Refraction: 1.537
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: 2.98
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 11.33
ACD/LogD (pH 7.4): -0.47
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: 48.2±3.0 dyne/cm
Molar Volume: 339.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement