ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-{[4-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate | C27H40N4O5

2-Methyl-2-propanyl (2S)-2-{[4-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC27H40N4O5
  • Average mass500.630 Da
  • Monoisotopic mass500.299866 Da
  • ChemSpider ID17466130

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{[4-({(2S)-1-[(4-Méthylbenzyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-pipéridinyl]carbonyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[4-[[[(1S)-1-methyl-2-[[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]carbonyl]-1-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-{[4-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-{[4-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-tert-butyl 2-(4-(((S)-1-((4-methylbenzyl)amino)-1-oxopropan-2-yl)carbamoyl)piperidine-1-carbonyl)pyrrolidine-1-carboxylate
956974-44-0 [RN]
TERT-BUTYL (2S)-2-(4-{[(1S)-1-{[(4-METHYLPHENYL)METHYL]CARBAMOYL}ETHYL]CARBAMOYL}PIPERIDINE-1-CARBONYL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl (2S)-2-[4-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 755.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.1±3.0 kJ/mol
    Flash Point: 410.8±32.9 °C
    Index of Refraction: 1.552
    Molar Refractivity: 135.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 1.74
    ACD/LogD (pH 5.5): 2.45
    ACD/BCF (pH 5.5): 42.62
    ACD/KOC (pH 5.5): 510.58
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 42.62
    ACD/KOC (pH 7.4): 510.58
    Polar Surface Area: 108 Å2
    Polarizability: 53.8±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 424.7±3.0 cm3

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