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Chemistry

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Also known as: 353-09-3, 3-guanidinopropanoic acid, Beta-guanidinopropionic acid, Guanidinopropionic acid, 3-guanidinopropanoate, 3-carbamimidamidopropanoic acid

Molecular Formula

C₄H₉N₃O₂

Molecular Weight

131.13 g/mol

InChI Key

KMXXSJLYVJEBHI-UHFFFAOYSA-N

FDA UNII

UL1984YRKA

1 2D Structure

RGX-202

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(diaminomethylideneamino)propanoic acid

2.1.2 InChI

InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)

2.1.3 InChI Key

KMXXSJLYVJEBHI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CN=C(N)N)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

UL1984YRKA

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Amidino Beta-alanine

2. Beta-guanidine Propionic Acid

3. Beta-guanidinopropionate

4. Beta-guanidinopropionic Acid

5. Guanidine Propionate

6. Guanidinopropionic Acid

7. Pnu 10483

8. Pnu-10483

2.3.2 Depositor-Supplied Synonyms

1. 353-09-3

2. 3-guanidinopropanoic Acid

3. Beta-guanidinopropionic Acid

4. Guanidinopropionic Acid

5. 3-guanidinopropanoate

6. 3-carbamimidamidopropanoic Acid

7. Beta-gpa

8. Ompenaclid

9. 3-(diaminomethylideneamino)propanoic Acid

10. N-(aminomethyl)-beta-alanine

11. Beta-guanadinopropionate

12. 3-guanidinopropanoicacid

13. Mfcd00045939

14. 3-guanidino-propionic Acid

15. Ul1984yrka

16. Chembl20489

17. .beta.-guanidinopropionic Acid

18. Chebi:15968

19. Rgx-202

20. Einecs 206-530-0

21. Unii-ul1984yrka

22. Ompenaclid [inn]

23. Guanidinepropanoicacid

24. Guanidinopropionicacid

25. Pnu-10483

26. Guanidinopropionic-acid

27. N-amidino-beta-alanin

28. B-gpa

29. Oristar Gpa

30. Guanidinoproprionic-beta

31. Guanidino Propionic Acid

32. Ss--guanidinopropionic Acid

33. N-carbamimidoyl-beta-alanine

34. Schembl33761

35. Beta-guanidinopropionic Acid.

36. Amidino .beta.-alanine

37. Gtpl4707

38. N-(aminoiminomethyl)beta-alanine

39. Rgx 202 [who-dd]

40. N-(aminoiminomethyl)-beta-alanin

41. Dtxsid40188795

42. B-alanine, N-(aminoiminomethyl)-

43. Zinc901626

44. Dl-.beta.-guanidino Propionic Acid

45. Amidino Beta-alanine [inci]

46. Amy22177

47. 3-(carbamimidoylamino)propanoic Acid

48. Bdbm50021610

49. N-[amino(imino)methyl]-beta-alanine

50. Pdsp1_000138

51. Pdsp2_000137

52. Rgx-202; 3-guanidinopropionic Acid

53. Akos006223011

54. Cs-w016544

55. Gs-6269

56. Hy-w015828

57. .beta.-alanine, N-(aminoiminomethyl)-

58. N-[amino(imino)methyl]-beta-alanine #

59. Sy066704

60. 3-[(diaminomethylidene)amino]propanoic Acid

61. Db-006453

62. Ft-0602540

63. En300-61035

64. C03065

65. H10255

66. Q5613765

67. W-106675

68. 3-guanidinopropionic Acid, Puriss., >=99.0% (nt)

69. Z959165114

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₄H₉N₃O₂
Molecular Weight	131.13 g/mol
XLogP3	-1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	102
Heavy Atom Count	9
Formal Charge	0
Complexity	128
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1