H-Gly-Sar-OH

Introduction

CAS No. :	29816-01-1	MDL No. :	MFCD00038193
Formula :	C5H10N2O3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VYAMLSCELQQRAE-UHFFFAOYSA-N
M.W :	146.14	Pubchem ID :	93131
Synonyms :	Glycylsarcosine;Gly-Sar	Chemical Name :	H-Gly-Sar-OH

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.6
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	33.72
TPSA :	83.63 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) :	-9.94 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.69
Log Po/w (XLOGP3) :	-3.87
Log Po/w (WLOGP) :	-1.51
Log Po/w (MLOGP) :	-1.37
Log Po/w (SILICOS-IT) :	-1.63
Consensus Log Po/w :	-1.54

Druglikeness

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

Water Solubility

Log S (ESOL) :	1.96
Solubility :	13200.0 mg/ml ; 90.4 mol/l
Class :	Highly soluble
Log S (Ali) :	2.71
Solubility :	74700.0 mg/ml ; 511.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.65
Solubility :	645.0 mg/ml ; 4.42 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.26

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

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