ChemSpider 2D Image | Benzyl cyclopropyl[4-(L-valylamino)cyclohexyl]carbamate | C22H33N3O3

Benzyl cyclopropyl[4-(L-valylamino)cyclohexyl]carbamate

  • Molecular FormulaC22H33N3O3
  • Average mass387.516 Da
  • Monoisotopic mass387.252197 Da
  • ChemSpider ID28300064

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1354003-59-0 [RN]
Benzyl cyclopropyl[4-(L-valylamino)cyclohexyl]carbamate [ACD/IUPAC Name]
BENZYL N-{4-[(2S)-2-AMINO-3-METHYLBUTANAMIDO]CYCLOHEXYL}-N-CYCLOPROPYLCARBAMATE
Benzyl-cyclopropyl[4-(L-valylamino)cyclohexyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]cyclohexyl]-N-cyclopropyl-, phenylmethyl ester [ACD/Index Name]
Cyclopropyl[4-(L-valylamino)cyclohexyl]carbamate de benzyle [French] [ACD/IUPAC Name]
(S)-Benzyl (4-(2-amino-3-methylbutanamido)cyclohexyl)(cyclopropyl)carbamate
[4-((S)-2-Amino-3-methylbutyrylamino)cyclohexyl]cyclopropylcarbamic acid benzyl ester
[4-((S)-2-Amino-3-methyl-butyrylamino)-cyclohexyl]-cyclopropyl-carbamic acid benzyl ester
MFCD21095455

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 573.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.9±3.0 kJ/mol
    Flash Point: 300.6±30.1 °C
    Index of Refraction: 1.570
    Molar Refractivity: 109.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.09
    ACD/LogD (pH 5.5): 0.58
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.05
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 22.18
    ACD/KOC (pH 7.4): 206.58
    Polar Surface Area: 85 Å2
    Polarizability: 43.5±0.5 10-24cm3
    Surface Tension: 50.2±5.0 dyne/cm
    Molar Volume: 334.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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