ChemSpider 2D Image | Cis-benzyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate | C13H18N2O3

Cis-benzyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC13H18N2O3
  • Average mass250.294 Da
  • Monoisotopic mass250.131744 Da
  • ChemSpider ID23076963

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-3-Amino-4-(hydroxyméthyl)-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-amino-4-(hydroxymethyl)-, phenylmethyl ester, (3R,4R)- [ACD/Index Name]
252770-09-5 [RN]
Benzyl (3R,4R)-3-amino-4-(hydroxymethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
benzyl (3R,4R)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate
Benzyl-(3R,4R)-3-amino-4-(hydroxymethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
Benzyl-(3R,4R)-3-amino-4-(hydroxymethyl)pyrrolidin-1-carboxylat
Cis-benzyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate
(3R,4R)-3-Amino-4-(hydroxymethyl)-1-pyrrolidinecarboxylic acid phenylmethyl ester
(3R,4R)-benzyl 3-amino-4-(hydroxymethyl)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: 414.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.3±3.0 kJ/mol
    Flash Point: 204.3±27.3 °C
    Index of Refraction: 1.572
    Molar Refractivity: 67.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.03
    ACD/LogD (pH 5.5): -2.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 52.3±3.0 dyne/cm
    Molar Volume: 204.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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