ChemSpider 2D Image | N~2~-[(Benzyloxy)carbonyl]-N-[(2S)-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-2-propanyl]-L-leucinamide | C21H31N3O5

N2-[(Benzyloxy)carbonyl]-N-[(2S)-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-2-propanyl]-L-leucinamide

  • Molecular FormulaC21H31N3O5
  • Average mass405.488 Da
  • Monoisotopic mass405.226379 Da
  • ChemSpider ID26618129

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-1-[[[(1S)-2-hydroxy-1-[(2-oxo-3-pyrrolidinyl)methyl]ethyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester [ACD/Index Name]
N2-[(Benzyloxy)carbonyl]-N-[(2S)-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-2-propanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-[(2S)-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-2-propanyl]-L-leucinamide [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-[(2S)-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-2-propanyl]-L-leucinamide [French] [ACD/IUPAC Name]
1333231-43-8 [RN]
benzyl ((2S)-1-(((2S)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
CS-15155
MFCD30748146

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 701.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.8±3.0 kJ/mol
    Flash Point: 378.2±31.5 °C
    Index of Refraction: 1.538
    Molar Refractivity: 107.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 0.35
    ACD/LogD (pH 5.5): 1.17
    ACD/BCF (pH 5.5): 4.56
    ACD/KOC (pH 5.5): 103.16
    ACD/LogD (pH 7.4): 1.17
    ACD/BCF (pH 7.4): 4.56
    ACD/KOC (pH 7.4): 103.13
    Polar Surface Area: 117 Å2
    Polarizability: 42.8±0.5 10-24cm3
    Surface Tension: 47.3±3.0 dyne/cm
    Molar Volume: 345.0±3.0 cm3

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