5-Hydroxypiperidine-2-carboxylic acid

Introduction

CAS No. :	13096-31-6	MDL No. :	MFCD08694639
Formula :	C6H11NO3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	RKEYKDXXZCICFZ-UHFFFAOYSA-N
M.W :	145.16	Pubchem ID :	151730
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.83
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	38.49
TPSA :	69.56 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-9.18 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.81
Log Po/w (XLOGP3) :	-2.81
Log Po/w (WLOGP) :	-1.2
Log Po/w (MLOGP) :	-3.07
Log Po/w (SILICOS-IT) :	-0.44
Consensus Log Po/w :	-1.34

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	1.1
Solubility :	1810.0 mg/ml ; 12.5 mol/l
Class :	Highly soluble
Log S (Ali) :	1.9
Solubility :	11600.0 mg/ml ; 80.2 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.36
Solubility :	336.0 mg/ml ; 2.32 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.31

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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