H-DL-Lys-OH.HCl

Introduction

CAS No. :	70-53-1	MDL No. :	MFCD00064563
Formula :	C6H15ClN2O2	Boiling Point :	-
Linear Structure Formula :	H2N(CH2)4CH(NH2)COOH·HCl	InChI Key :	BVHLGVCQOALMSV-UHFFFAOYSA-N
M.W :	182.65	Pubchem ID :	12047
Synonyms :	DL-Lysine Monohydrochloride	Chemical Name :	H-DL-Lys-OH.HCl

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.83
Num. rotatable bonds :	5
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	44.0
TPSA :	89.34 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) :	-9.01 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-2.25
Log Po/w (WLOGP) :	-3.36
Log Po/w (MLOGP) :	-2.32
Log Po/w (SILICOS-IT) :	-0.72
Consensus Log Po/w :	-1.73

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.78
Solubility :	1090.0 mg/ml ; 5.96 mol/l
Class :	Highly soluble
Log S (Ali) :	0.91
Solubility :	1480.0 mg/ml ; 8.08 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.18
Solubility :	120.0 mg/ml ; 0.658 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.85

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

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine