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2D Structure
Also known as: Gmg-43ac, V2354f532y, 1240290-49-6, Benzenepropanoic acid, 4-(acetylamino)-alpha-methoxy-(alphar)-, Refchem:199339, Acetamidophenyl methoxypropionic acid
Molecular Formula
C12H15NO4
Molecular Weight
237.25  g/mol
InChI Key
DQUOOKMLOSPCLZ-LLVKDONJSA-N
FDA UNII
V2354F532Y

a PPARgamma modulator; structure in first source
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-3-(4-acetamidophenyl)-2-methoxypropanoic acid
2.1.2 InChI
InChI=1S/C12H15NO4/c1-8(14)13-10-5-3-9(4-6-10)7-11(17-2)12(15)16/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)/t11-/m1/s1
2.1.3 InChI Key
DQUOOKMLOSPCLZ-LLVKDONJSA-N
2.2 Other Identifiers
2.2.1 UNII
V2354F532Y
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Gmg-43ac

2.3.2 Depositor-Supplied Synonyms

1. Gmg-43ac

2. V2354f532y

3. 1240290-49-6

4. Benzenepropanoic Acid, 4-(acetylamino)-alpha-methoxy-(alphar)-

5. Refchem:199339

6. Acetamidophenyl Methoxypropionic Acid

7. Unii-edb68l0q5w

8. Edb68l0q5w

9. 1190427-41-8

10. N-acetyl-ged-0507-34-levo

11. Acetamidophenyl Methoxypropionic Acid, (s)-

12. (s)-(-)-3-(4-acetylaminophenyl)-2-methoxypropionic Acid

13. Benzenepropanoic Acid, 4-(acetylamino)-alpha-methoxy-, (alphas)-

14. Unii-v2354f532y

15. Schembl719476

16. Dtxsid10152302

17. Acetamidophenyl Methoxypropionic Acid [inci]

18. (2r)-3-(4-acetamidophenyl)-2-methoxypropanoic Acid

19. Q27291432

20. N-acetyl-(r)-(-)-3-(4-aminophenyl)-2-methoxypropionic Acid

21. Benzenepropanoic Acid, 4-(acetylamino)-.alpha.-methoxy-(.alpha.r)-

2.4 Create Date
2010-08-30
3 Chemical and Physical Properties
Molecular Weight 237.25 g/mol
Molecular Formula C12H15NO4
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area75.6
Heavy Atom Count17
Formal Charge0
Complexity272
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1