Boc-trans-4-Pro-OMe

Name: Boc-trans-4-Pro-OMe
SKU: PI121148003
Rating: 5 (1 reviews)

Cat. No.: PI121148003

Product Details Other Identifiers Computed Properties

CAS	121148-00-3
Synonyms	(2S,4R)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
Purity	95%
Molecular Formula	C11H20N2O4
Molecular Weight	244.29
Molar Refractivity	65.39

Pubchem ID	7009918
InChI Key	IOLQYMRFIIVPMQ-SFYZADRCSA-N
MDL Number	MFCD01861782

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	5
Topological Polar Surface Area	81.86 Å²
Heavy Atom Count	17
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.82
Log Po/w (iLOGP)	2.49
Log Po/w (XLOGP3)	0.32
Log Po/w (WLOGP)	0.12
Log Po/w (MLOGP)	0.22
Log Po/w (SILICOS-IT)	-0.34
Consensus Log Po/w	0.56
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.56 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	3.3

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