(S)-Benzyl 3-(2,5-dioxooxazolidin-4-yl)propanoate

Introduction

CAS No. :	3190-71-4	MDL No. :	MFCD11046651
Formula :	C13H13NO5	Boiling Point :	-
Linear Structure Formula :	C7H7OOCCH2CH2CHNHC2O3	InChI Key :	UGCBVSDSTGUPBC-JTQLQIEISA-N
M.W :	263.25	Pubchem ID :	9813894
Synonyms :

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.31
Num. rotatable bonds :	6
Num. H-bond acceptors :	5.0
Num. H-bond donors :	1.0
Molar Refractivity :	68.01
TPSA :	81.7 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) :	-7.03 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.42
Log Po/w (XLOGP3) :	1.24
Log Po/w (WLOGP) :	0.61
Log Po/w (MLOGP) :	1.23
Log Po/w (SILICOS-IT) :	1.69
Consensus Log Po/w :	1.24

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.09
Solubility :	2.13 mg/ml ; 0.00811 mol/l
Class :	Soluble
Log S (Ali) :	-2.55
Solubility :	0.736 mg/ml ; 0.00279 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.47
Solubility :	0.0886 mg/ml ; 0.000337 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.81

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-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