CAS 103041-38-9

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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

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 Formula	C₁₀H₁₄N₂O₂
Molecular Weight	194.23 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	194.105527694 g/mol
Monoisotopic Mass	194.105527694 g/mol
Topological Polar Surface Area	51.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	174
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