59875-04-6

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Also known as: Ec 611-909-2, 611-909-2, 59875-04-6, 2-butyrylaminopropionic acid, 2-butyramidopropanoic acid, 55930-29-5

Molecular Formula

C₇H₁₃NO₃

Molecular Weight

159.18 g/mol

InChI Key

DTIMTCJMOWXMGT-UHFFFAOYSA-N

1 2D Structure

59875-04-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(butanoylamino)propanoic acid

2.1.2 InChI

InChI=1S/C7H13NO3/c1-3-4-6(9)8-5(2)7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)

2.1.3 InChI Key

DTIMTCJMOWXMGT-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Ec 611-909-2

2. 611-909-2

3. 59875-04-6

4. 2-butyrylaminopropionic Acid

5. 2-butyramidopropanoic Acid

6. 55930-29-5

7. 2-butyrylamino Propionic Acid

8. 2-butyrylaminopropinicacid

9. 2-(butanoylamino)propanoic Acid

10. 2-butyrylamino-propionic Acid

11. (s)-2-butyramidopropanoic Acid

12. 2-butyryl Amino Propionic Acid

13. N-(1-oxobutyl)-dl-alanine

14. 2-((butanoyl)amino)propanoic Acid

15. 2-butanamidopropanoic Acid

16. Mfcd08458732

17. N-(1-oxobutyl)alanine

18. 2-butyramido Propionic Acid

19. Schembl5401

20. Dtimtcjmowxmgt-uhfffaoysa-n

21. Dtxsid801045005

22. Bcp25974

23. Akos000153409

24. Akos016050959

25. Sb45407

26. Ac-15631

27. Ws-02148

28. Db-013411

29. Ns00008425

30. 2-butyrylamino-propionic Acid (butanoyl-dl-ala-oh)

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₃NO₃
Molecular Weight	159.18 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	66.4
Heavy Atom Count	11
Formal Charge	0
Complexity	156
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1