ChemSpider 2D Image | ({2-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]-2-OXOETHYL}(4-METHOXYPHENYL)AMINO)ACETIC ACID | C20H29N3O6

({2-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]-2-OXOETHYL}(4-METHOXYPHENYL)AMINO)ACETIC ACID

  • Molecular FormulaC20H29N3O6
  • Average mass407.461 Da
  • Monoisotopic mass407.205627 Da
  • ChemSpider ID21801013

More details:

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

({2-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]-2-OXOETHYL}(4-METHOXYPHENYL)AMINO)ACETIC ACID
{(4-Methoxyphenyl)[2-(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)-2-oxoethyl]amino}acetic acid [ACD/IUPAC Name]
{(4-Methoxyphenyl)[2-(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)-2-oxoethyl]amino}essigsäure [German] [ACD/IUPAC Name]
1142205-70-6 [RN]
1-Piperazinecarboxylic acid, 4-[2-[(carboxymethyl)(4-methoxyphenyl)amino]acetyl]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
2-[(2-{4-[(TERT-BUTOXY)CARBONYL]PIPERAZIN-1-YL}-2-OXOETHYL)(4-METHOXYPHENYL)AMINO]ACETIC ACID
Acide {(4-méthoxyphényl)[2-(4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1-pipérazinyl)-2-oxoéthyl]amino}acétique [French] [ACD/IUPAC Name]
[(2-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]-2-OXOETHYL)(4-METHOXYPHENYL)AMINO]ACETIC ACID
[{2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]-2-oxoethyl}(4-methoxyphenyl)amino]acetic acid
[{2-[4-(tert-butoxycarbonyl)piperazin-1-yl]-2-oxoethyl}(4-methoxyphenyl)amino]aceticacid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 616.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 326.9±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.64
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 324.5±3.0 cm3

Click to predict properties on the Chemicalize site


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