ChemSpider 2D Image | (4S)-4-Amino-1-[(benzyloxy)carbonyl]-L-proline | C13H16N2O4

(4S)-4-Amino-1-[(benzyloxy)carbonyl]-L-proline

  • Molecular FormulaC13H16N2O4
  • Average mass264.277 Da
  • Monoisotopic mass264.110992 Da
  • ChemSpider ID23960694

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-1-CBZ-4-AMINO PYRROLIDINE-2-CARBOXYLIC ACID
(4S)-4-Amino-1-[(benzyloxy)carbonyl]-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-Amino-1-[(benzyloxy)carbonyl]-L-proline [ACD/IUPAC Name]
(4S)-4-Amino-1-[(benzyloxy)carbonyl]-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(phenylmethyl) ester, (2S,4S)- [ACD/Index Name]
281666-43-1 [RN]
(2s,4s)-1-cbz-4-aminopyrrolidine-2-carboxylic acid
(2S,4S)-1-CBZ-4-AMINO-PYRROLIDINE-2-CARBOXYLIC ACID
(2s,4s)-1-cbz-4-amino-pyrrolidine-2-carboxylicacid
(2S,4S)-4-Amino-1-((benzyloxy)carbonyl)pyrrolidine-2-carboxylic acid
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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: 464.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.5±3.0 kJ/mol
    Flash Point: 234.6±28.7 °C
    Index of Refraction: 1.594
    Molar Refractivity: 67.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.25
    ACD/LogD (pH 5.5): -1.94
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.94
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 93 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 61.5±3.0 dyne/cm
    Molar Volume: 197.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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