2-(2-Methoxyethoxy)acetic acid

Introduction

CAS No. :	16024-56-9	MDL No. :	MFCD00044097
Formula :	C5H10O4	Boiling Point :	-
Linear Structure Formula :	HO2CCH2OCH2CH2OCH3	InChI Key :	CLLLODNOQBVIMS-UHFFFAOYSA-N
M.W :	134.13	Pubchem ID :	27642
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.8
Num. rotatable bonds :	5
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	30.09
TPSA :	55.76 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) :	-7.45 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.29
Log Po/w (XLOGP3) :	-0.47
Log Po/w (WLOGP) :	-0.27
Log Po/w (MLOGP) :	-0.84
Log Po/w (SILICOS-IT) :	-0.15
Consensus Log Po/w :	-0.09

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-0.05
Solubility :	121.0 mg/ml ; 0.901 mol/l
Class :	Very soluble
Log S (Ali) :	-0.23
Solubility :	78.2 mg/ml ; 0.583 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.3
Solubility :	66.8 mg/ml ; 0.498 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.04

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H317-H319	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