CAS 3105-95-1 | Drug Information, Uses, Side Effects, Pharma intermediate Chemistry | PharmaCompass.com

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2D Structure

Also known as: 3105-95-1, (s)-piperidine-2-carboxylic acid, L-homoproline, L-pipecolinic acid, H-hopro-oh, L-pipecolate

Molecular Formula

C₆H₁₁NO₂

Molecular Weight

129.16 g/mol

InChI Key

HXEACLLIILLPRG-YFKPBYRVSA-N

FDA UNII

69374CKB33

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-piperidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1

2.1.3 InChI Key

HXEACLLIILLPRG-YFKPBYRVSA-N

2.1.4 Canonical SMILES

C1CCNC(C1)C(=O)O

2.1.5 Isomeric SMILES

C1CCN[C@@H](C1)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

69374CKB33

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-piperidinecarboxylic Acid

2. Homopipecolic Acid

3. Pipecolic Acid

4. Pipecolic Acid Hydrochloride, (+-)-isomer

5. Pipecolic Acid, (+,-)-isomer

6. Pipecolic Acid, (-)-

7. Pipecolic Acid, (r)-isomer

8. Pipecolic Acid, (s)-isomer

9. Pipecolic Acid, 14c-labeled Cpd, (+,-)-isomer

10. Pipecolic Acid, Ion (1-)

11. Pipecolic Acid, Ion(1-), (+,-)-isomer

12. Pipecolic Acid, Ion(1-), (s)-isomer

13. Pipecolic Acid, Monopotassium Salt

2.3.2 Depositor-Supplied Synonyms

1. 3105-95-1

2. (s)-piperidine-2-carboxylic Acid

3. L-homoproline

4. L-pipecolinic Acid

5. H-hopro-oh

6. L-pipecolate

7. (2s)-piperidine-2-carboxylic Acid

8. L(-)-pipecolinic Acid

9. L-(-)-pipecolinic Acid

10. (l)-pipecolic Acid

11. (s)-pipecolic Acid

12. 2-piperidinecarboxylic Acid, (2s)-

13. L-(-)-pipecolic Acid

14. Pipecolic Acid, (-)-

15. (-)-pipecolic Acid

16. L-piperidine-2-carboxylic Acid

17. (s)-(-)-2-piperidinecarboxylic Acid

18. H-homopro-oh

19. (s)-(-)-pipecolic Acid

20. (s)-pipecolinic Acid

21. Einecs 221-462-1

22. Chebi:30913

23. 69374ckb33

24. (s)-pipecolate

25. Pipecolic Acid, L-(-)-

26. 83680-83-5

27. (s)-2-piperidinecarboxylic Acid

28. (-)-l-pipecolinic Acid

29. (-)-(s)-pipecolic Acid

30. L-homopro

31. L-pipecolinate

32. Mfcd00005981

33. Nsc-93089

34. Unii-69374ckb33

35. (s)-pipecolinate

36. (-)-pipecolate

37. Ycp

38. Nsc 93089

39. L-(-)-pipecolate

40. (s)-(-)-pipecolate

41. S-(-)-pipecolinic Acid

42. Bmse000237

43. L-piperidine-2-carboxylate

44. (s)-2-piperidinecarboxylate

45. Schembl40185

46. (-)-pipecolinic Acid

47. (2s)-(-)-pipecolinic Acid

48. (s)-piperidine-2-carboxylate

49. S-piperidine-2-carboxylic Acid

50. 2(s)-piperidinecarboxylic Acid

51. Chembl322883

52. S)-2-piperidinecarboxylic Acid

53. (s)-piperidine-2-carboxylicacid

54. Dtxsid401035840

55. Zinc157015

56. (s)-(-)-2-piperidinecarboxylate

57. (s)-piperidine-2-carboxylic Acid;

58. Act07825

59. Pipecolic Acid L-form [mi]

60. (s)(-)-2-piperidinecarboxylic Acid

61. L-pipecolic Acid, 99% (titration)

62. S6302

63. Akos005258385

64. Cs-w013450

65. Hy-w012734

66. Piperidine-2-carboxylic Acid;h-hopro-oh

67. Am803674

68. Ds-13286

69. L-pipecolic Acid, Proline Homolog., 99%

70. A5640

71. P1404

72. En300-66085

73. C00408

74. L-pipecolic Acid, Puriss., >=99.0% (nt)

75. 105p951

76. Q-103016

77. Q27104171

78. 7c6a2ded-5e15-4dfb-bf48-f9d231169779

79. Z1270387296

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁NO₂
Molecular Weight	129.16 g/mol
XLogP3	-2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	129.078978594 g/mol
Monoisotopic Mass	129.078978594 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114
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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