CAS 6368-20-3

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9 Related Intermediates

Chemistry

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Also known as: 6368-20-3, Boc-d-ser-oh, N-boc-d-serine, N-(tert-butoxycarbonyl)-d-serine, (tert-butoxycarbonyl)-d-serine, (2r)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Molecular Formula

C₈H₁₅NO₅

Molecular Weight

205.21 g/mol

InChI Key

FHOAKXBXYSJBGX-RXMQYKEDSA-N

1 2D Structure

CAS 6368-20-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

2.1.2 InChI

InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m1/s1

2.1.3 InChI Key

FHOAKXBXYSJBGX-RXMQYKEDSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(CO)C(=O)O

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CO)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6368-20-3

2. Boc-d-ser-oh

3. N-boc-d-serine

4. N-(tert-butoxycarbonyl)-d-serine

5. (tert-butoxycarbonyl)-d-serine

6. (2r)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid

7. Boc-l-ser-oh

8. D-serine, N-[(1,1-dimethylethoxy)carbonyl]-

9. (2r)-2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoic Acid

10. (r)-2-tert-butoxycarbonylamino-3-hydroxy Propionic Acid

11. Mfcd00063142

12. Boc-(d)-serine

13. Boc-d-ser

14. (r)-n-boc-serine

15. N-boc-(d)-serine

16. (2r)-boc-serine

17. (2r)-n-boc-serine

18. Boc-d-serine Monohydrate

19. N-t-butoxycarbonyl-d-serine

20. Schembl47301

21. (2s)-2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoic Acid

22. N-t-butyloxycarbonyl-d-serine

23. N-tert-butoxycarbonyl-d-serine

24. Dtxsid10348465

25. Act08526

26. Bcp04714

27. Zinc3123571

28. Fd3065

29. Akos016842873

30. Am82210

31. Cs-w002294

32. Hy-w002294

33. Ac-24071

34. Ac-24072

35. Boc-d-ser-oh, >=98.0% (tlc)

36. Ds-14371

37. (tert-butoxycarbonyl)-d-serine Monohydrate

38. 368b203

39. J-300229

40. Q-101712

41. N-alpha-t-butyloxycarbonyl-d-serine (boc-d-ser-oh)

42. (r)-2-(tert-butoxycarbonylamino)-3-hydroxypropanoic Acid

43. (r)-2-tert-butoxycarbonylamino-3-hydroxy-propionic Acid

44. (2r)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoic Acid

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₅NO₅
Molecular Weight	205.21 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	205.09502258 g/mol
Monoisotopic Mass	205.09502258 g/mol
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1