Please Wait
Applying Filters...
Menu
Xls
2D Structure
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

1 2D Structure

2D Structure

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