CAS 95715-85-8

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Also known as: 95715-85-8, Boc-d-serine methyl ester, N-boc-d-serine methyl ester, N-(tert-butoxycarbonyl)-d-serine methyl ester, Methyl (2r)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, (-)-methyl n-boc-d-serinate

Molecular Formula

C₉H₁₇NO₅

Molecular Weight

219.23 g/mol

InChI Key

SANNKFASHWONFD-ZCFIWIBFSA-N

1 2D Structure

CAS 95715-85-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

2.1.2 InChI

InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)/t6-/m1/s1

2.1.3 InChI Key

SANNKFASHWONFD-ZCFIWIBFSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 95715-85-8

2. Boc-d-serine Methyl Ester

3. N-boc-d-serine Methyl Ester

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

5. Methyl (2r)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

6. (-)-methyl N-boc-d-serinate

7. (r)-methyl 2-(tert-butoxycarbonylamino)-3-hydroxypropanoate

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

9. (r)-methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoate

10. Nsc659314

11. Methyl N-(tert-butoxycarbonyl)-d-serinate

12. Mfcd00270516

13. Schembl3617926

14. Methyl N-boc-d-serinate

15. Dtxsid00327481

16. Act00016

17. Methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoate

18. Zinc1637062

19. Akos015892723

20. Akos015995302

21. Cs-w019796

22. Nsc-659314

23. Methyl (tert-butoxycarbonyl)-d-serinate

24. Ac-24070

25. As-12236

26. Hy-79513

27. Am20090348

28. N-tert-butoxycarbonyl-d-serine Methyl Ester

29. N-(tert Butoxycarbonyl)-l-serine Methyl Ester

30. A26609

31. M06200

32. 715b858

33. J-300232

34. Q-101716

35. N-(tert-butoxycarbonyl)-d-serine Methyl Ester, 97%

36. Tert-butyl (r)-1-(methoxycarbonyl)-2-hydroxyethylcarbamate

37. Methyl (r)-2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoate

38. (r)-2-tert-butoxycarbonylamino-3-hydroxy-propionic Acid Methyl Ester

39. Methyl (2r)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoate

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₇NO₅
Molecular Weight	219.23 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	219.11067264 g/mol
Monoisotopic Mass	219.11067264 g/mol
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	233
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