ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-{[4-({(2S)-3-methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate | C29H44N4O5

2-Methyl-2-propanyl (2S)-2-{[4-({(2S)-3-methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC29H44N4O5
  • Average mass528.683 Da
  • Monoisotopic mass528.331177 Da
  • ChemSpider ID17464805

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{[4-({(2S)-3-Méthyl-1-[(4-méthylbenzyl)amino]-1-oxo-2-butanyl}carbamoyl)-1-pipéridinyl]carbonyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[4-[[[(1S)-2-methyl-1-[[[(4-methylphenyl)methyl]amino]carbonyl]propyl]amino]carbonyl]-1-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-{[4-({(2S)-3-methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-{[4-({(2S)-3-methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-tert-butyl 2-(4-(((S)-3-methyl-1-((4-methylbenzyl)amino)-1-oxobutan-2-yl)carbamoyl)piperidine-1-carbonyl)pyrrolidine-1-carboxylate
956990-69-5 [RN]
MCULE-7944334823
MolPort-002-520-544
STOCK1N-43396
TERT-BUTYL (2S)-2-(4-{[(1S)-2-METHYL-1-{[(4-METHYLPHENYL)METHYL]CARBAMOYL}PROPYL]CARBAMOYL}PIPERIDINE-1-CARBONYL)PYRROLIDINE-1-CARBOXYLATE
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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: 763.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.1±3.0 kJ/mol
    Flash Point: 415.3±32.9 °C
    Index of Refraction: 1.545
    Molar Refractivity: 144.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 3.44
    ACD/BCF (pH 5.5): 242.22
    ACD/KOC (pH 5.5): 1771.04
    ACD/LogD (pH 7.4): 3.44
    ACD/BCF (pH 7.4): 242.22
    ACD/KOC (pH 7.4): 1771.04
    Polar Surface Area: 108 Å2
    Polarizability: 57.4±0.5 10-24cm3
    Surface Tension: 47.5±3.0 dyne/cm
    Molar Volume: 458.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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