CAS 86123-95-7

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2 End Use APIs
9 Related Intermediates

Chemistry

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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

CAS 86123-95-7

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 Formula	C₉H₁₇NO₅
Molecular Weight	219.23 g/mol
XLogP3	0.4
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