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2D Structure
Also known as: Gmg-43ac, V2354f532y, Acetamidophenyl methoxypropionic acid, (r)-, Acetamidophenyl methoxypropionic acid [inci], 1190427-41-8, 1240290-49-6
Molecular Formula
C12H15NO4
Molecular Weight
237.25  g/mol
InChI Key
DQUOOKMLOSPCLZ-LLVKDONJSA-N
FDA UNII
V2354F532Y

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
2.1.4 Canonical SMILES
CC(=O)NC1=CC=C(C=C1)CC(C(=O)O)OC
2.1.5 Isomeric SMILES
CC(=O)NC1=CC=C(C=C1)C[C@H](C(=O)O)OC
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. Acetamidophenyl Methoxypropionic Acid, (r)-

4. Acetamidophenyl Methoxypropionic Acid [inci]

5. 1190427-41-8

6. 1240290-49-6

7. Edb68l0q5w

8. N-acetyl-ged-0507-34-levo

9. Unii-v2354f532y

10. Acetamidophenyl Methoxypropionic Acid, (s)-

11. Unii-edb68l0q5w

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

13. Schembl719476

14. Dtxsid10152302

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

16. Q27291432

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

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

19. 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 Mass237.10010796 g/mol
Monoisotopic Mass237.10010796 g/mol
Topological Polar Surface Area75.6 Ų
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