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2D Structure
Also known as: 617-45-8, 2-aminobutanedioic acid, Dl-aminosuccinic acid, Dl-asparagic acid, Dl-asp-oh, Aspartic acid, dl-
Molecular Formula
C4H7NO4
Molecular Weight
133.10  g/mol
InChI Key
CKLJMWTZIZZHCS-UHFFFAOYSA-N
FDA UNII
28XF4669EP

One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-aminobutanedioic acid
2.1.2 InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
2.1.3 InChI Key
CKLJMWTZIZZHCS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(C(C(=O)O)N)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
28XF4669EP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (+-)-aspartic Acid

2. (r,s)-aspartic Acid

3. Ammonium Aspartate

4. Aspartate

5. Aspartate Magnesium Hydrochloride

6. Aspartate, Ammonium

7. Aspartate, Calcium

8. Aspartate, Dipotassium

9. Aspartate, Disodium

10. Aspartate, Magnesium

11. Aspartate, Monopotassium

12. Aspartate, Monosodium

13. Aspartate, Potassium

14. Aspartate, Sodium

15. Aspartic Acid

16. Aspartic Acid, Ammonium Salt

17. Aspartic Acid, Calcium Salt

18. Aspartic Acid, Dipotassium Salt

19. Aspartic Acid, Disodium Salt

20. Aspartic Acid, Hydrobromide

21. Aspartic Acid, Hydrochloride

22. Aspartic Acid, Magnesium (1:1) Salt, Hydrochloride, Trihydrate

23. Aspartic Acid, Magnesium (2:1) Salt

24. Aspartic Acid, Magnesium-potassium (2:1:2) Salt

25. Aspartic Acid, Monopotassium Salt

26. Aspartic Acid, Monosodium Salt

27. Aspartic Acid, Potassium Salt

28. Aspartic Acid, Sodium Salt

29. Calcium Aspartate

30. Dipotassium Aspartate

31. Disodium Aspartate

32. L Aspartate

33. L Aspartic Acid

34. L-aspartate

35. L-aspartic Acid

36. Magnesiocard

37. Magnesium Aspartate

38. Mg-5-longoral

39. Monopotassium Aspartate

40. Monosodium Aspartate

41. Potassium Aspartate

42. Sodium Aspartate

2.3.2 Depositor-Supplied Synonyms

1. 617-45-8

2. 2-aminobutanedioic Acid

3. Dl-aminosuccinic Acid

4. Dl-asparagic Acid

5. Dl-asp-oh

6. Aspartic Acid, Dl-

7. Acid D,l-aspart

8. 2-aminosuccinic Acid

9. (+-)-aspartic Acid

10. (r,s)-aspartic Acid

11. Aminosuccinic Acid

12. H-dl-asp-oh

13. Mfcd00063083

14. (+/-)-2-aminosuccinic Acid

15. Nsc3973

16. 28xf4669ep

17. Nsc79553

18. Nsc620336

19. Nsc-141379

20. Butanedioic Acid, (s)-

21. .alpha.-aminosuccinic Acid

22. Dl-asparticacid

23. (s)-aminosuccinic Acid

24. D,l-aspartic Acid

25. (+/-)-aspartic Acid

26. Einecs 210-513-3

27. Nsc 141379

28. Nsc 620336

29. Asparaginsaure

30. Nsc-3973

31. Unii-28xf4669ep

32. Ai3-18471

33. Nsc-97922

34. Dl-aspartic

35. Dl Aspartic Acid

36. Laevo-aspartic Acid

37. Dl-asparaginic Acid

38. (1)-aspartic Acid

39. (rs)-aspartic Acid

40. 101247-29-4

41. 2-amino-butanedioic Acid

42. Ec 210-513-3

43. Aspartic Acid (dl)

44. L-aspartic Acid (l-asp)

45. Schembl3230

46. Nciopen2_001642

47. Aspartic Acid, Dl- (8ci)

48. Dl-aspartic Acid, 98.0%

49. Dl-aspartic Acid [fcc]

50. L-(-)-aspartic Acid)

51. Chebi:22660

52. Dtxsid30859003

53. L-(-)-asparaginic Acid)

54. L-aspartic Acid-[1,4-13c2]

55. Bcp30569

56. Nsc97922

57. Bbl002458

58. Nsc-79553

59. Nsc141379

60. Stk387107

61. Dl-aspartic Acid, >=99% (tlc)

62. Akos000119962

63. Akos016512961

64. Cs-w016540

65. Nsc-620336

66. As-11791

67. Db-018116

68. A0544

69. Am20100510

70. Ft-0624455

71. Ft-0625441

72. Ft-0627708

73. Ft-0655880

74. Ft-0662308

75. Ft-0693446

76. Ft-0771226

77. Ft-0772195

78. Poly-l-aspartic Acid (mw 2500-10000)

79. A-9200

80. D77793

81. L-aspartate Potassium And Magnesium Salt Mixture

82. 617a458

83. Dl-aspartic Acid, Vetec(tm) Reagent Grade, 98%

84. Sr-01000075415

85. Sr-01000075415-1

86. Q27109481

87. F2191-0170

88. Z1270358398

89. B9081c6f-a966-4eae-8764-0b3998277a1b

90. (-)-aspartic Acid;(r)-aspartic Acid; D-(-)-aspartic Acid;h-d-asp-oh

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 133.10 g/mol
Molecular Formula C4H7NO4
XLogP3-2.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass133.03750770 g/mol
Monoisotopic Mass133.03750770 g/mol
Topological Polar Surface Area101 Ų
Heavy Atom Count9
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1