(R)-2-Aminopropanamide

Introduction

CAS No. :	35320-22-0	MDL No. :	MFCD00672501
Formula :	C3H8N2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HQMLIDZJXVVKCW-UWTATZPHSA-N
M.W :	88.11	Pubchem ID :	446080
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	22.15
TPSA :	69.11 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) :	-7.81 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.32
Log Po/w (XLOGP3) :	-1.37
Log Po/w (WLOGP) :	-1.18
Log Po/w (MLOGP) :	-1.25
Log Po/w (SILICOS-IT) :	-1.28
Consensus Log Po/w :	-0.95

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.54
Solubility :	308.0 mg/ml ; 3.49 mol/l
Class :	Highly soluble
Log S (Ali) :	0.42
Solubility :	231.0 mg/ml ; 2.63 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.56
Solubility :	316.0 mg/ml ; 3.59 mol/l
Class :	Soluble

Medicinal Chemistry

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

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

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