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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

CAS 62062-65-1
1 2D Structure

CAS 62062-65-1

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

BUILDING BLOCK

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