2-(2-Oxopyrrolidin-1-yl)acetamide

Introduction

CAS No. :	7491-74-9	MDL No. :	MFCD00079246
Formula :	C6H10N2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GMZVRMREEHBGGF-UHFFFAOYSA-N
M.W :	142.16	Pubchem ID :	4843
Synonyms :	UCB-6215	Chemical Name :	2-(2-Oxopyrrolidin-1-yl)acetamide

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	38.76
TPSA :	63.4 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) :	-8.26 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.79
Log Po/w (XLOGP3) :	-1.54
Log Po/w (WLOGP) :	-1.29
Log Po/w (MLOGP) :	-0.96
Log Po/w (SILICOS-IT) :	-0.21
Consensus Log Po/w :	-0.64

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.38
Solubility :	342.0 mg/ml ; 2.4 mol/l
Class :	Highly soluble
Log S (Ali) :	0.72
Solubility :	738.0 mg/ml ; 5.19 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.18
Solubility :	93.1 mg/ml ; 0.655 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.15

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280	UN#:	N/A
Hazard Statements:	H302-H317	Packing Group:	N/A
GHS Pictogram:

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