2-(4-Hydroxy-2-oxopyrrolidin-1-yl)acetamide

Introduction

CAS No. :	62613-82-5	MDL No. :	MFCD00242951
Formula :	C6H10N2O3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IHLAQQPQKRMGSS-UHFFFAOYSA-N
M.W :	158.16	Pubchem ID :	4626
Synonyms :	ISF2522;CGP 21690E;Hydroxypiracetam;Neuractiv	Chemical Name :	2-(4-Hydroxy-2-oxopyrrolidin-1-yl)acetamide

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	39.92
TPSA :	83.63 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-8.86 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.43
Log Po/w (XLOGP3) :	-2.24
Log Po/w (WLOGP) :	-2.32
Log Po/w (MLOGP) :	-1.79
Log Po/w (SILICOS-IT) :	-1.07
Consensus Log Po/w :	-1.4

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.72
Solubility :	835.0 mg/ml ; 5.28 mol/l
Class :	Highly soluble
Log S (Ali) :	1.02
Solubility :	1640.0 mg/ml ; 10.4 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.61
Solubility :	643.0 mg/ml ; 4.06 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.0

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

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