Boc-Gly-OH

Introduction

CAS No. :	4530-20-5	MDL No. :	MFCD00002690
Formula :	C7H13NO4	Boiling Point :	-
Linear Structure Formula :	(CH3)3COC(O)NHCH2C(O)OH	InChI Key :	VRPJIFMKZZEXLR-UHFFFAOYSA-N
M.W :	175.18	Pubchem ID :	78288
Synonyms :	N-tert-Butoxycarbonyl-2-aminoacetic acid;NSC 127669

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.71
Num. rotatable bonds :	5
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	42.05
TPSA :	75.63 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) :	-7.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.58
Log Po/w (XLOGP3) :	0.52
Log Po/w (WLOGP) :	0.6
Log Po/w (MLOGP) :	0.18
Log Po/w (SILICOS-IT) :	-0.39
Consensus Log Po/w :	0.5

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.92
Solubility :	20.9 mg/ml ; 0.119 mol/l
Class :	Very soluble
Log S (Ali) :	-1.68
Solubility :	3.67 mg/ml ; 0.0209 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.61
Solubility :	43.3 mg/ml ; 0.247 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.03

Signal Word:	Danger	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338-P310-P403-P501	UN#:	N/A
Hazard Statements:	H318	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