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2D Structure
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

2D Structure

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 Weight 131.13 g/mol
Molecular Formula C4H9N3O2
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area102
Heavy Atom Count9
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1