DL-Glutamic Acid Monohydrate

Introduction

CAS No. :	19285-83-7	MDL No. :	MFCD00150703
Formula :	C5H11NO5	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OZDAOHVKBFBBMZ-UHFFFAOYSA-N
M.W :	165.14	Pubchem ID :	16219385
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.6
Num. rotatable bonds :	4
Num. H-bond acceptors :	6.0
Num. H-bond donors :	4.0
Molar Refractivity :	35.45
TPSA :	109.85 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) :	-10.26 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.21
Log Po/w (XLOGP3) :	-4.16
Log Po/w (WLOGP) :	-0.8
Log Po/w (MLOGP) :	-3.99
Log Po/w (SILICOS-IT) :	-1.19
Consensus Log Po/w :	-1.98

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	2.02
Solubility :	17300.0 mg/ml ; 105.0 mol/l
Class :	Highly soluble
Log S (Ali) :	2.46
Solubility :	47500.0 mg/ml ; 288.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.89
Solubility :	1290.0 mg/ml ; 7.83 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.9

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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