5626-52-8 5-Oxopyrrolidine-2-carboxamide

Introduction

CAS No. :	5626-52-8	MDL No. :	MFCD00843027
Formula :	C5H8N2O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	WGOIHPRRFBCVBZ-UHFFFAOYSA-N
M.W :	128.13	Pubchem ID :	220461
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.6
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	33.86
TPSA :	72.19 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) :	-8.09 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.32
Log Po/w (XLOGP3) :	-1.42
Log Po/w (WLOGP) :	-1.63
Log Po/w (MLOGP) :	-1.34
Log Po/w (SILICOS-IT) :	-0.32
Consensus Log Po/w :	-0.88

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.33
Solubility :	272.0 mg/ml ; 2.12 mol/l
Class :	Highly soluble
Log S (Ali) :	0.41
Solubility :	327.0 mg/ml ; 2.55 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.25
Solubility :	72.2 mg/ml ; 0.564 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.6

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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