ChemSpider 2D Image | [(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinyl]acetic acid | C16H21NO4

[(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinyl]acetic acid

  • Molecular FormulaC16H21NO4
  • Average mass291.342 Da
  • Monoisotopic mass291.147064 Da
  • ChemSpider ID26264725

More details:

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

[(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isochinolinyl]essigsäure [German] [ACD/IUPAC Name]
[(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinyl]acetic acid [ACD/IUPAC Name]
3-Isoquinolineacetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-1,2,3,4-tetrahydro-, (3R)- [ACD/Index Name]
Acide [(3R)-2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tétrahydro-3-isoquinoléinyl]acétique [French] [ACD/IUPAC Name]
(R)-2-(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid
(S)-2-(2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid
[2-(TERT-BUTOXYCARBONYL)-3,4-DIHYDRO-1H-ISOQUINOLIN-3-YL]ACETIC ACID
2-(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid
2-{2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}acetic acid
270062-98-1 [RN]
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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: 454.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 228.7±26.8 °C
Index of Refraction: 1.542
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 10.43
ACD/KOC (pH 5.5): 90.84
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.44
Polar Surface Area: 67 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 246.7±3.0 cm3

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