Boc-Pyr-OMe

Cat. No.: PI108963968

Product Details Other Identifiers Computed Properties

CAS	108963-96-8
Synonyms	1-(tert-Butyl) 2-methyl (S)-5-oxopyrrolidine-1,2-dicarboxylate
Purity	97%
Molecular Formula	C11H17NO5
Molecular Weight	243.26
Molar Refractivity	62.88

Pubchem ID	10868485
InChI Key	FNTAOUUEQHKLIU-ZETCQYMHSA-N
MDL Number	MFCD06809720

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	5
Topological Polar Surface Area	72.91 Å²
Heavy Atom Count	17
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.73
Log Po/w (iLOGP)	2.46
Log Po/w (XLOGP3)	0.91
Log Po/w (WLOGP)	0.7
Log Po/w (MLOGP)	0.53
Log Po/w (SILICOS-IT)	0.48
Consensus Log Po/w	1.02
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.14 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.93

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