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CAS 25503-90-6 manufacturers and suppliers on PharmaCompass

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CAS 25503-90-6
Also known as: 25503-90-6, 1-acetyl-4-piperidinecarboxylic acid, 1-acetylisonipecotic acid, N-acetylisonipecotic acid, 4-piperidinecarboxylic acid, 1-acetyl-, 1-acetyl-4-piperidine carboxylic acid
Molecular Formula
C8H13NO3
Molecular Weight
171.19  g/mol
InChI Key
WFCLWJHOKCQYOQ-UHFFFAOYSA-N
FDA UNII
G4N4ECA9RB

1 2D Structure

CAS 25503-90-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-acetylpiperidine-4-carboxylic acid
2.1.2 InChI
InChI=1S/C8H13NO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
2.1.3 InChI Key
WFCLWJHOKCQYOQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)N1CCC(CC1)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
G4N4ECA9RB
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 25503-90-6

2. 1-acetyl-4-piperidinecarboxylic Acid

3. 1-acetylisonipecotic Acid

4. N-acetylisonipecotic Acid

5. 4-piperidinecarboxylic Acid, 1-acetyl-

6. 1-acetyl-4-piperidine Carboxylic Acid

7. G4n4eca9rb

8. N-acetyl-4-piperidinecarboxylic Acid

9. N-acetylpiperidine-4-carboxylic Acid

10. Mfcd00023706

11. 1-acetyl-piperidine-4-carboxylic Acid

12. Maybridge1_003128

13. Einecs 247-049-6

14. 1-acetylpiperidine-4-carboxylic Acid,

15. Unii-g4n4eca9rb

16. N-acetyl Isonipecotic Acid

17. N-acetylisonipecotinic Acid

18. 4-carboxypiperidineacetamide

19. Schembl191353

20. Hms550g04

21. Zinc58130

22. Dtxsid80180192

23. Acetylpiperidine-4-carboxylic Acid

24. 1-acetylpiperidin-4-carboxylic Acid

25. 1-acetylpiperidine-4-carboxylicacid

26. Amy32509

27. 1_acetylpiperidine_4_carboxylic_acid

28. 4-acetylpiperidine-1-carboxylic Acid

29. Bbl022569

30. Ccg-48266

31. Stl170033

32. L-acetyl-piperidine-4-carboxylic Acid

33. Akos000264472

34. Sb17852

35. Ac-15315

36. Bp-10288

37. Sy007534

38. 1-acetylpiperidine-4-carboxylic Acid, 97%

39. Db-013081

40. Cs-0011192

41. Ft-0607294

42. 5p-083

43. 503a906

44. Aq-358/42531503

45. Q-103010

46. Sr-01000637821-1

47. F2190-0008

2.4 Create Date
2005-07-07
3 Chemical and Physical Properties
Molecular Weight 171.19 g/mol
Molecular Formula C8H13NO3
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass171.08954328 g/mol
Monoisotopic Mass171.08954328 g/mol
Topological Polar Surface Area57.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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