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Also known as: 103041-38-9, N-[2]pyridyl-b-alanin-ethyl ester, Ethyl 3-(2-pyridylamino)propanoate, Ethyl 3-(2-pyridylamino)propionate, N-2-pyridinyl-beta-alanine ethyl ester, Mfcd09833621
Molecular Formula
C10H14N2O2
Molecular Weight
194.23  g/mol
InChI Key
UITNIDFEANEWPC-UHFFFAOYSA-N

CAS 103041-38-9
1 2D Structure

CAS 103041-38-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 3-(pyridin-2-ylamino)propanoate
2.1.2 InChI
InChI=1S/C10H14N2O2/c1-2-14-10(13)6-8-12-9-5-3-4-7-11-9/h3-5,7H,2,6,8H2,1H3,(H,11,12)
2.1.3 InChI Key
UITNIDFEANEWPC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)CCNC1=CC=CC=N1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 103041-38-9

2. N-[2]pyridyl-b-alanin-ethyl Ester

3. Ethyl 3-(2-pyridylamino)propanoate

4. Ethyl 3-(2-pyridylamino)propionate

5. N-2-pyridinyl-beta-alanine Ethyl Ester

6. Mfcd09833621

7. Ethyl 3-((pyridin-2-yl)amino)propanoate

8. Ethyl 3-[(pyridin-2-yl)amino]propanoate

9. 3-(pyridin-2-ylamino)-propionic Acid Ethyl Ester

10. Ethyl3-(pyridin-2-ylamino)propanoate

11. Schembl1602631

12. Amy8712

13. Dtxsid90475203

14. Bcp08905

15. Cs-m2454

16. N-2-pyridinyl-b-alanine Ethyl Ester

17. Sc3891

18. Zinc22011551

19. Akos005266613

20. Ac-7902

21. Ds-0761

22. N-(2-pyridyl)-beta-alanine Ethyl Ester

23. N-ethyl 3-(pyridin-2-ylamino)propanoate

24. Sy021323

25. Db-004038

26. Bb 0253984

27. E1214

28. Ft-0650193

29. 3-(2-pyridylamino)propionic Acid Ethyl Ester

30. 3-(pyridyl-2-amino) Propionic Acid Ethyl Ester

31. 041e389

32. A1-00095

33. J-520819

2.3 Create Date
2007-01-10
3 Chemical and Physical Properties
Molecular Weight 194.23 g/mol
Molecular Formula C10H14N2O2
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass194.105527694 g/mol
Monoisotopic Mass194.105527694 g/mol
Topological Polar Surface Area51.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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