ChemSpider 2D Image | (2R)-Cyclobutyl[(3S,4S)-3-(3-fluorophenyl)-4-({4-[propyl(5-pyrimidinyl)amino]-1-piperidinyl}methyl)-1-pyrrolidinyl]acetic acid | C29H40FN5O2

(2R)-Cyclobutyl[(3S,4S)-3-(3-fluorophenyl)-4-({4-[propyl(5-pyrimidinyl)amino]-1-piperidinyl}methyl)-1-pyrrolidinyl]acetic acid

  • Molecular FormulaC29H40FN5O2
  • Average mass509.659 Da
  • Monoisotopic mass509.316589 Da
  • ChemSpider ID441736

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-Cyclobutyl[(3S,4S)-3-(3-fluorophenyl)-4-({4-[propyl(5-pyrimidinyl)amino]-1-piperidinyl}methyl)-1-pyrrolidinyl]acetic acid [ACD/IUPAC Name]
(2R)-Cyclobutyl[(3S,4S)-3-(3-fluorphenyl)-4-({4-[propyl(5-pyrimidinyl)amino]-1-piperidinyl}methyl)-1-pyrrolidinyl]essigsäure [German] [ACD/IUPAC Name]
1-Pyrrolidineacetic acid, α-cyclobutyl-3-(3-fluorophenyl)-4-[[4-(propyl-5-pyrimidinylamino)-1-piperidinyl]methyl]-, (αR,3S,4S)- [ACD/Index Name]
Acide (2R)-cyclobutyl[(3S,4S)-3-(3-fluorophényl)-4-({4-[propyl(5-pyrimidinyl)amino]-1-pipéridinyl}méthyl)-1-pyrrolidinyl]acétique [French] [ACD/IUPAC Name]
1-Pyrrolidineacetic acid, a-cyclobutyl-3-(3-fluorophenyl)-4-[[4-(propyl-5-pyrimidinylamino)-1-piperidinyl]methyl]-, (αR,3S,4S)-

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

AIDS169013 [DBID]
AIDS-169013 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 347.7±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.18
Polar Surface Area: 73 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 416.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement