ChemSpider 2D Image | methyl 3-(4-boronobenzoylamino)propionate | C11H14BNO5

methyl 3-(4-boronobenzoylamino)propionate

  • Molecular FormulaC11H14BNO5
  • Average mass251.044 Da
  • Monoisotopic mass251.096497 Da
  • ChemSpider ID21472783

More details:

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

(4-((3-Methoxy-3-oxopropyl)carbamoyl)phenyl)boronic acid
957034-76-3 [RN]
methyl 3-(4-boronobenzoylamino)propionate
Methyl N-[4-(dihydroxyboryl)benzoyl]-β-alaninate [ACD/IUPAC Name]
Methyl-N-[4-(dihydroxyboryl)benzoyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[4-(Dihydroxyboryl)benzoyl]-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-(4-boronobenzoyl)-, methyl ester [ACD/Index Name]
[957034-76-3] [RN]
{4-[(3-METHOXY-3-OXOPROPYL)CARBAMOYL]PHENYL}BORONIC ACID
4-(3-Methoxy-3-oxopropylcarbamoyl)phenylboronicacid
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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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.543
    Molar Refractivity: 62.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.50
    ACD/LogD (pH 5.5): 0.68
    ACD/BCF (pH 5.5): 1.93
    ACD/KOC (pH 5.5): 55.76
    ACD/LogD (pH 7.4): 0.61
    ACD/BCF (pH 7.4): 1.65
    ACD/KOC (pH 7.4): 47.71
    Polar Surface Area: 96 Å2
    Polarizability: 24.6±0.5 10-24cm3
    Surface Tension: 52.1±5.0 dyne/cm
    Molar Volume: 196.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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