(S)-2-Amino-5-guanidinopentanoic acid hydrochloride

Introduction

CAS No. :	1119-34-2	MDL No. :	MFCD00064550
Formula :	C6H15ClN4O2	Boiling Point :	-
Linear Structure Formula :	H2NCH(CH2CH2CH2NHC(NH2)NH)CO2H·HCl	InChI Key :	KWTQSFXGGICVPE-WCCKRBBISA-N
M.W :	210.66	Pubchem ID :	66250
Synonyms :	(S)-(+)-Arginine hydrochloride;L-Arginine (hydrochloride);Levargin;Arginine Hydrochloride;Detoxargin;Arginine HCl;NSC 203450;NSC 7914;L-(+)-Arginine;L-Arg;L-Arginine HCl	Chemical Name :	(S)-2-Amino-5-guanidinopentanoic acid hydrochloride

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	6
Num. H-bond acceptors :	4.0
Num. H-bond donors :	5.0
Molar Refractivity :	51.5
TPSA :	125.22 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) :	-10.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-3.4
Log Po/w (WLOGP) :	-0.54
Log Po/w (MLOGP) :	-2.85
Log Po/w (SILICOS-IT) :	-1.61
Consensus Log Po/w :	-1.68

Druglikeness

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

Water Solubility

Log S (ESOL) :	1.39
Solubility :	5190.0 mg/ml ; 24.7 mol/l
Class :	Highly soluble
Log S (Ali) :	1.35
Solubility :	4690.0 mg/ml ; 22.3 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.06
Solubility :	242.0 mg/ml ; 1.15 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.25

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

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