AM010835

Synopsis, Chemistry

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Also known as: 495-69-2, 2-benzamidoacetic acid, N-benzoylglycine, Benzoylglycine, Glycine, n-benzoyl-, Benzamidoacetic acid

Molecular Formula

C₉H₉NO₃

Molecular Weight

179.17 g/mol

InChI Key

QIAFMBKCNZACKA-UHFFFAOYSA-N

FDA UNII

TE0865N2ET

Hippuric Acid is an acyl glycine produced by the conjugation of benzoic acid and glycine, found as a normal component in urine as a metabolite of aromatic compounds from food. Increased urine hippuric acid content may have antibacterial effects.

1 2D Structure

AM010835

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-benzamidoacetic acid

2.1.2 InChI

InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)

2.1.3 InChI Key

QIAFMBKCNZACKA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

TE0865N2ET

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ammonium Hippurate

2. Benzamidoacetic Acid

3. Benzoylglycine

4. Hippurate

5. Hippuric Acid, (14)c-labeled

6. Hippuric Acid, Monoammonium Salt

7. Hippuric Acid, Monopotassium Salt

8. Hippuric Acid, Monosodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 495-69-2

2. 2-benzamidoacetic Acid

3. N-benzoylglycine

4. Benzoylglycine

5. Glycine, N-benzoyl-

6. Benzamidoacetic Acid

7. Benzoylaminoacetic Acid

8. Hippurate

9. Hippursaeure

10. Phenylcarbonylaminoacetic Acid

11. Benzamidoessigsaeure

12. (benzoylamino)acetic Acid

13. Benzoylaminoessigsaeure

14. N-benzoyl-glycin

15. Acetic Acid, (benzoylamino)-

16. Bz-gly-oh

17. Acido Ippurico

18. Acido Ippurico [italian]

19. 2-(phenylformamido)acetic Acid

20. Nsc 9982

21. Mfcd00002692

22. 66407-11-2

23. N-(phenylcarbonyl)glycine

24. Chembl461

25. Te0865n2et

26. Chebi:18089

27. Nsc-9982

28. Ncgc00159486-02

29. 2-benzamidoacetate

30. Acetic Acid,benzamide Hippuric Acid

31. Dsstox_cid_26073

32. Dsstox_rid_81320

33. Dsstox_gsid_46073

34. N-benzoyl(d5) Glycine

35. Cas-495-69-2

36. 2-benzamidoaceticacid

37. Einecs 207-806-3

38. Brn 1073987

39. Unii-te0865n2et

40. Benzoylglycin

41. Hippuricacid

42. Benzoyl Glycine

43. Hippuric-acid

44. Benzamidoacetate

45. Benzoylglycocoll

46. Ai3-01062

47. N-benzoyl-glycine

48. N-benzoyl Glycine

49. Hippuric Acid, Na

50. Bzo-gly-oh

51. Hippuric Acid,(s)

52. (benzoylamino)-acetate

53. Hippuric Acid, 98%

54. Benzoylamino-acetic Acid

55. Hippuricum Acidum

56. 2-benzamidoethanoic Acid

57. Phenylcarbonylaminoacetate

58. (benzoylamino)-acetic Acid

59. Bmse000408

60. Cambridge Id 5116993

61. Hippuric Acid [mi]

62. Schembl7486

63. 2-(benzoylamino)acetic Acid

64. Timtec1_002805

65. Oprea1_124422

66. Oprea1_492747

67. Hippuric Acid [inci]

68. 4-09-00-00778 (beilstein Handbook Reference)

69. Mls001074359

70. Bidd:er0490

71. Dtxsid9046073

72. Hippuricum Acidum [hpus]

73. Nsc9982

74. Hippuric Acid, Puriss., 99.0%

75. Hms1541p11

76. Hms2230i23

77. Hms3373i07

78. Albb-005966

79. Amy39522

80. Bcp25964

81. Zinc6344064

82. Benzenecarboxamide, N-carboxymethyl-

83. Tox21_111710

84. Bbl008217

85. Bdbm50009999

86. S5618

87. Stk011394

88. Akos000118897

89. Tox21_111710_1

90. Bs-3968

91. Ccg-266415

92. Cs-w017278

93. Hy-w016562

94. Sdccgmls-0064636.p001

95. S11321

96. Ncgc00159486-03

97. Ncgc00159486-04

98. Ncgc00159486-06

99. Smr000112115

100. Db-051645

101. Ft-0627072

102. Ft-0660260

103. H0143

104. C01586

105. Ab00375781-06

106. Q412803

107. Q-201204

108. F2111-0036

109. 2-benzamidoacetic Acid;n-benzoylglycine;glycine, N-benzoyl-

110. 37c5e4e2-f7a0-451c-a041-5c9a71d92fa7

111. Methylaminolevulinate Hydrochloride Impurity H [ep Impurity]

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₉H₉NO₃
Molecular Weight	179.17 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	179.058243149 g/mol
Monoisotopic Mass	179.058243149 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	197
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