ChemSpider 2D Image | [(4S)-4-Fluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl](hydroxy)acetic acid | C11H18FNO5

[(4S)-4-Fluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl](hydroxy)acetic acid

  • Molecular FormulaC11H18FNO5
  • Average mass263.263 Da
  • Monoisotopic mass263.116913 Da
  • ChemSpider ID65698500

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

[(4S)-4-Fluor-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl](hydroxy)essigsäure [German] [ACD/IUPAC Name]
[(4S)-4-Fluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl](hydroxy)acetic acid [ACD/IUPAC Name]
2-Pyrrolidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-α-hydroxy-, (4S)- [ACD/Index Name]
Acide [(4S)-4-fluoro-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl](hydroxy)acétique [French] [ACD/IUPAC Name]
2-[(4S)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidin-2-yl]-2-hydroxyacetic acid
2227922-01-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 411.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±6.0 kJ/mol
Flash Point: 202.7±25.9 °C
Index of Refraction: 1.508
Molar Refractivity: 59.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 201.0±5.0 cm3

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