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2D Structure
Also known as: 62062-65-1, 39825-33-7, (s)-isopropyl 2-aminopropanoate hydrochloride, H-ala-oipr.hcl, H-ala-oipr hcl, (s)-isopropyl 2-aminopropanoate hcl
Molecular Formula
C6H14ClNO2
Molecular Weight
167.63  g/mol
InChI Key
YAQKNCSWDMGPOY-JEDNCBNOSA-N
FDA UNII
XE5BV8F75L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
propan-2-yl (2S)-2-aminopropanoate;hydrochloride
2.1.2 InChI
InChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
2.1.3 InChI Key
YAQKNCSWDMGPOY-JEDNCBNOSA-N
2.1.4 Canonical SMILES
CC(C)OC(=O)C(C)N.Cl
2.1.5 Isomeric SMILES
C[C@@H](C(=O)OC(C)C)N.Cl
2.2 Other Identifiers
2.2.1 UNII
XE5BV8F75L
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 62062-65-1

2. 39825-33-7

3. (s)-isopropyl 2-aminopropanoate Hydrochloride

4. H-ala-oipr.hcl

5. H-ala-oipr Hcl

6. (s)-isopropyl 2-aminopropanoate Hcl

7. Isopropyl L-alaninate Hydrochloride

8. Xe5bv8f75l

9. Alanine, 1-methylethyl Ester, Hydrochloride

10. Propan-2-yl (2s)-2-aminopropanoate;hydrochloride

11. (s)-2-aminopropionic Acid Isopropyl Ester Hydrochloride

12. (s)-isopropyl-2-aminopropanoate Hydrochloride

13. Propan-2-yl (2s)-2-aminopropanoate Hydrochloride

14. H-ala-oipr Hydrochloride

15. Mfcd08059709

16. Isopropyl L-alanine Hydrochloride

17. Isopropyl (2s)-2-aminopropanoate Hydrochloride

18. H-ala-oiprhc

19. L-alanine Isopropylester Hydrochloride

20. Unii-xe5bv8f75l

21. Ec 692-724-4

22. Schembl215571

23. Amy852

24. Dtxsid10960388

25. Iso-propyl Alaninate Hydrochloride

26. Dtxsid001347097

27. 39825-33-7 (non-salt)

28. Akos016016046

29. Ac-8641

30. Cs-w019924

31. Gs-5932

32. L-alanine Iso-propyl Ester Hydrochloride

33. Ac-29152

34. (s)-isopropyl2-aminopropanoatehydrochloride

35. Isopropyl (s)-2-aminopropionate Hydrochloride

36. M02938

37. Propan-2-yl Alaninate--hydrogen Chloride (1/1)

38. 825h337

39. A854791

40. L-alanine, 1-methylethyl Ester, Hydrochloride

41. L-alanine, 1-methylethyl Ester, Hydrochloride (1:1)

2.4 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 167.63 g/mol
Molecular Formula C6H14ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass167.0713064 g/mol
Monoisotopic Mass167.0713064 g/mol
Topological Polar Surface Area52.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2