N-Formylglycine

Introduction

CAS No. :	2491-15-8	MDL No. :	MFCD00037360
Formula :	C3H5NO3	Boiling Point :	-
Linear Structure Formula :	OCHNHCH2COOH	InChI Key :	UGJBHEZMOKVTIM-UHFFFAOYSA-N
M.W :	103.08	Pubchem ID :	75606
Synonyms :	2-formamidoacetic acid;For-Gly-OH;FGly	Chemical Name :	N-Formylglycine

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.33
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	21.7
TPSA :	66.4 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) :	-7.53 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.08
Log Po/w (XLOGP3) :	-0.85
Log Po/w (WLOGP) :	-1.18
Log Po/w (MLOGP) :	-0.99
Log Po/w (SILICOS-IT) :	-0.91
Consensus Log Po/w :	-0.77

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.25
Solubility :	185.0 mg/ml ; 1.8 mol/l
Class :	Highly soluble
Log S (Ali) :	-0.06
Solubility :	89.0 mg/ml ; 0.864 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.41
Solubility :	268.0 mg/ml ; 2.6 mol/l
Class :	Soluble

Medicinal Chemistry

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

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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