ChemSpider 2D Image | N-Boc-pyrrolidin-2-(S)-ylboronic acid | C9H18BNO4

N-Boc-pyrrolidin-2-(S)-ylboronic acid

  • Molecular FormulaC9H18BNO4
  • Average mass215.055 Da
  • Monoisotopic mass215.132889 Da
  • ChemSpider ID26000206

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl]boronic acid [ACD/IUPAC Name]
[(2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl]borsäure [German] [ACD/IUPAC Name]
1-(1,1-Dimethylethyl) (2S)-2-borono-1-pyrrolidinecarboxylate
149716-79-0 [RN]
1-Pyrrolidinecarboxylic acid, 2-borono-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
Acide [(2S)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl]boronique [French] [ACD/IUPAC Name]
N-Boc-pyrrolidin-2-(S)-ylboronic acid
(2S)-1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-2-YLBORONIC ACID
(S)-(1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)boronic acid
(s)-n-boc-pyrrolidin-2-ylboronic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 349.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.8±6.0 kJ/mol
Flash Point: 165.0±30.7 °C
Index of Refraction: 1.489
Molar Refractivity: 53.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 81.85
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.26
ACD/KOC (pH 7.4): 80.75
Polar Surface Area: 70 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 187.0±5.0 cm3

Click to predict properties on the Chemicalize site


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