(S)-2-Amino-4-methylpentanamide

Introduction

CAS No. :	687-51-4	MDL No. :	MFCD00238027
Formula :	C6H14N2O	Boiling Point :	-
Linear Structure Formula :	H2NCH(C4H9)CONH2	InChI Key :	FORGMRSGVSYZQR-YFKPBYRVSA-N
M.W :	130.19	Pubchem ID :	69640
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.83
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	36.57
TPSA :	69.11 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) :	-7.02 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.02
Log Po/w (XLOGP3) :	0.11
Log Po/w (WLOGP) :	-0.15
Log Po/w (MLOGP) :	-0.01
Log Po/w (SILICOS-IT) :	-0.39
Consensus Log Po/w :	0.11

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.52
Solubility :	39.5 mg/ml ; 0.303 mol/l
Class :	Very soluble
Log S (Ali) :	-1.12
Solubility :	9.95 mg/ml ; 0.0764 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.35
Solubility :	58.2 mg/ml ; 0.447 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.34

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	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