(1R,2S,5S)-3-(tert-Butoxycarbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

Name: (1R,2S,5S)-3-(tert-Butoxycarbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
SKU: PI219754026
Rating: 5 (1 reviews)

Catalog NumberPI219754026

CAS Number219754-02-6

CategoryAntivirals Intermediates

(1R,2S,5S)-3-(tert-Butoxycarbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

Product Details

Purity	95%
Molecular Formula	C13H21NO4
Molecular Weight	255.31
Molar Refractivity	70.41

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Other Identifiers

Pubchem ID	10848612
InChI Key	MFBZMDIQWYXOSP-CIUDSAMLSA-N
MDL Number	MFCD15147269

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.85
Brenk	0.0 alert
Consensus Log Po/w	1.67
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.85
Ghose	None
GI Absorption	High
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.44 cm/s
Log Po/w (iLOGP)	2.5
Log Po/w (MLOGP)	1.58
Log Po/w (SILICOS-IT)	0.69
Log Po/w (WLOGP)	1.58
Log Po/w (XLOGP3)	1.99
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	3.35
Topological Polar Surface Area	66.84 Å²
Veber	0.0

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