N-Cbz-D-glutamic Acid

Introduction

CAS No. :	63648-73-7	MDL No. :	MFCD00063193
Formula :	C13H15NO6	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PVFCXMDXBIEMQG-SNVBAGLBSA-N
M.W :	281.26	Pubchem ID :	1607568
Synonyms :	Z-D-Glu-OH	Chemical Name :	N-Cbz-D-glutamic Acid

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.31
Num. rotatable bonds :	9
Num. H-bond acceptors :	6.0
Num. H-bond donors :	3.0
Molar Refractivity :	68.27
TPSA :	112.93 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) :	-7.36 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.34
Log Po/w (XLOGP3) :	0.92
Log Po/w (WLOGP) :	1.08
Log Po/w (MLOGP) :	0.82
Log Po/w (SILICOS-IT) :	0.55
Consensus Log Po/w :	0.94

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-1.79
Solubility :	4.55 mg/ml ; 0.0162 mol/l
Class :	Very soluble
Log S (Ali) :	-2.88
Solubility :	0.373 mg/ml ; 0.00133 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.15
Solubility :	2.01 mg/ml ; 0.00714 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.84

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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