ChemSpider 2D Image | (3S)-2-[Amino(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile | C18H25N3O2

(3S)-2-[Amino(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

  • Molecular FormulaC18H25N3O2
  • Average mass315.410 Da
  • Monoisotopic mass315.194672 Da
  • ChemSpider ID23256983

  • defined stereocentres - 1 of 8 defined stereocentres

More details:

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

(3S)-2-[2-Amino-2-(3-hydroxyadamantan-1-yl)acétyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile [French] [ACD/IUPAC Name]
(3S)-2-[Amino(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-carbonitril [German] [ACD/IUPAC Name]
(3S)-2-[Amino(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile [ACD/IUPAC Name]
(3S)-2-[amino(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (3S)- [ACD/Index Name]
(S)-2-[2-Amino-2-(3-hydroxy-adamantan-1-yl)-acetyl]-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 285.6±25.9 °C
Index of Refraction: 1.640
Molar Refractivity: 84.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.21
Polar Surface Area: 90 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 233.6±5.0 cm3

Click to predict properties on the Chemicalize site


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