CAS 99189-60-3

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Also known as: 99189-60-3, 2-(1-(2-amino-2-oxoethyl)cyclohexyl)acetic acid, 2-[1-(2-amino-2-oxoethyl)cyclohexyl]acetic acid, 1,1-cyclohexanediacetic acid mono amide, Cyclohexaneacetic acid, 1-(2-amino-2-oxoethyl)-, 1-(carbamoylmethyl)cyclohexaneacetic acid

Molecular Formula

C₁₀H₁₇NO₃

Molecular Weight

199.25 g/mol

InChI Key

QJGSJXLCJRXTRY-UHFFFAOYSA-N

FDA UNII

Q2L6GJL8MX

1 2D Structure

CAS 99189-60-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[1-(2-amino-2-oxoethyl)cyclohexyl]acetic acid

2.1.2 InChI

InChI=1S/C10H17NO3/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H2,11,12)(H,13,14)

2.1.3 InChI Key

QJGSJXLCJRXTRY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(CC1)(CC(=O)N)CC(=O)O

2.2 Other Identifiers

2.2.1 UNII

Q2L6GJL8MX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 99189-60-3

2. 2-(1-(2-amino-2-oxoethyl)cyclohexyl)acetic Acid

3. 2-[1-(2-amino-2-oxoethyl)cyclohexyl]acetic Acid

4. 1,1-cyclohexanediacetic Acid Mono Amide

5. Cyclohexaneacetic Acid, 1-(2-amino-2-oxoethyl)-

6. 1-(carbamoylmethyl)cyclohexaneacetic Acid

7. [1-(2-amino-2-oxoethyl)cyclohexyl]acetic Acid

8. 2-(1-carbamoylmethyl-cyclohexyl)-acetamide

9. Mfcd02181086

10. 1,1-cyclohexane Diacetic Acid Monoamide

11. Cyclohexane 1,1-diacetic Acid Monoamide

12. Q2l6gjl8mx

13. 3,3-pentamethyleneglutaramic Acid

14. Mls000080525

15. (1-carbamoylmethyl-cyclohexyl)-acetic Acid

16. 1,1-cyclohexanediacetic Acidmonoamide

17. 1-(2-amino-2-oxoethyl)cyclohexaneacetic Acid

18. Schembl2454102

19. Chembl1342567

20. Cyclohexanediacetic Acid Monoamide

21. Dtxsid70349837

22. Hms2462j07

23. Zinc366885

24. Bcp14075

25. Bbl022555

26. Stl049866

27. Akos005703345

28. Ac-8436

29. 1,1-cyclohexanediacetic Acid, Mono-amide

30. As-30317

31. Smr000036610

32. Sy023363

33. Db-018691

34. Cs-0067217

35. Ft-0642390

36. 1,1-cyclohexane Diacetic Acid Monoamide(cam)

37. 1,1-cyclohexanediacetic Acid Monoamide, 97%

38. 89c603

39. 2-[1-(2-amino-2-oxo-ethyl)cyclohexyl]acetamide

40. An-829/14685035

41. J-503731

2.4 Create Date

2005-06-29

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇NO₃
Molecular Weight	199.25 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	199.12084340 g/mol
Monoisotopic Mass	199.12084340 g/mol
Topological Polar Surface Area	80.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	232
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