Boc-D-HoPro-OH

Cat. No.: PI28697178

Product Details Other Identifiers Computed Properties

CAS	28697-17-8
Synonyms	(R)-1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid
Purity	95%
Molecular Formula	C11H19NO4
Linear Formula	C5H9N(COOC(CH3)3)COOH
Molecular Weight	229.27
Molar Refractivity	63.17

Pubchem ID	688618
InChI Key	JQAOHGMPAAWWQO-MRVPVSSYSA-N
MDL Number	MFCD00237380

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	4
Topological Polar Surface Area	66.84 Å²
Heavy Atom Count	16
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.82
Log Po/w (iLOGP)	2.18
Log Po/w (XLOGP3)	1.82
Log Po/w (WLOGP)	1.48
Log Po/w (MLOGP)	1.03
Log Po/w (SILICOS-IT)	0.5
Consensus Log Po/w	1.4
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.41 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.73

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