tert-Butyl endo-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

Name: tert-Butyl endo-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
SKU: PI207405683
Rating: 5 (1 reviews)

Catalog NumberPI207405683

CAS Number207405-68-3

CategoryGastrointestinal Agents Intermediates

tert-Butyl endo-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

Product Details

Purity	96%
Molecular Formula	C12H22N2O2
Molecular Weight	226.32
Molar Refractivity	66.8

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Other Identifiers

MDL Number

MFCD18428077

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.49
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.92
Ghose	None
GI Absorption	High
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.72 cm/s
Log Po/w (iLOGP)	2.72
Log Po/w (MLOGP)	1.44
Log Po/w (SILICOS-IT)	0.46
Log Po/w (WLOGP)	1.49
Log Po/w (XLOGP3)	1.35
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	3.95
Topological Polar Surface Area	55.56 Å²
Veber	0.0

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