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Acetamidophenyl Methoxypropionic Acid

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CHEMISTRY

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Chemistry

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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

CAS 1190427-41-8

1 2D Structure

CAS 1190427-41-8

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 Formula	C₁₂H₁₅NO₄
Molecular Weight	237.25 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	237.10010796 g/mol
Monoisotopic Mass	237.10010796 g/mol
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	272
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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