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2D Structure
Also known as: 86123-95-7, Boc-o-methyl-d-serine, Boc-o-methyl-d-ser, D-serine, n-[(1,1-dimethylethoxy)carbonyl]-o-methyl-, D-serine, n-[(1,1-dimethylethoxy)carbonyl]-o-methyl- (9ci), (2r)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula
C9H17NO5
Molecular Weight
219.23  g/mol
InChI Key
RFGMSGRWQUMJIR-ZCFIWIBFSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
2.1.2 InChI
InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-14-4)7(11)12/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
2.1.3 InChI Key
RFGMSGRWQUMJIR-ZCFIWIBFSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC(COC)C(=O)O
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N[C@H](COC)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 86123-95-7

2. Boc-o-methyl-d-serine

3. Boc-o-methyl-d-ser

4. D-serine, N-[(1,1-dimethylethoxy)carbonyl]-o-methyl-

5. D-serine, N-[(1,1-dimethylethoxy)carbonyl]-o-methyl- (9ci)

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

7. (r)-2-(tert-butoxycarbonylamino)-3-methoxypropionic Acid

8. (r)-2-tert-butoxycarbonylamino-3-methoxy-propionic Acid

9. N-(tert-butoxycarbonyl)-o-methyl-d-serine

10. (r)-2-(tert-butoxycarbonylamino)-3-methoxypropanoic Acid

11. N-boc-o-methyl-d-serine

12. Mfcd08063987

13. Schembl527131

14. Dtxsid70650672

15. D-serine, N-[(1,1-dimethylethoxy)carbonyl]-o-methyl-(9ci)

16. Bcp04715

17. Cs-d0906

18. Zinc16697274

19. Akos016843022

20. Ac-25780

21. Am808174

22. Ds-11383

23. 123b957

24. A841566

25. Q-102739

26. (2r)-2-(tert-butoxycarbonylamino)-3-methoxy-propanoic Acid;(r)-2-((tert-butoxycarbonyl)amino)-3-methoxypropanoic Acid

2.3 Create Date
2009-05-28
3 Chemical and Physical Properties
Molecular Weight 219.23 g/mol
Molecular Formula C9H17NO5
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass219.11067264 g/mol
Monoisotopic Mass219.11067264 g/mol
Topological Polar Surface Area84.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1