N,N-Dimethylglycine hydrochloride

Introduction

CAS No. :	2491-06-7	MDL No. :	MFCD00012610
Formula :	C4H10ClNO2	Boiling Point :	No data available
Linear Structure Formula :	(CH3)2NCH2CO2H·HCl	InChI Key :	FKASAVXZZLJTNX-UHFFFAOYSA-N
M.W :	139.58	Pubchem ID :	75605
Synonyms :		Chemical Name :	N,N-Dimethylglycine hydrochloride

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.75
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	32.97
TPSA :	40.54 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.65 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-2.11
Log Po/w (WLOGP) :	0.43
Log Po/w (MLOGP) :	0.01
Log Po/w (SILICOS-IT) :	-0.94
Consensus Log Po/w :	-0.52

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.76
Solubility :	796.0 mg/ml ; 5.7 mol/l
Class :	Highly soluble
Log S (Ali) :	1.79
Solubility :	8550.0 mg/ml ; 61.2 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.3
Solubility :	281.0 mg/ml ; 2.01 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:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
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