CAS 338990-31-1

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3 End Use APIs
23 Related Intermediates

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Also known as: 338990-31-1, [2-[1-chloroethoxycarbonyl(methyl)amino]pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate, Cid 11281469, Mfcd30184953, (2-(((1-chloroethoxy)carbonyl) (methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino) acetate;, (2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl n-(tert-butoxycarbonyl)-n-methylglycinate;(2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

Molecular Formula

C₁₈H₂₆ClN₃O₆

Molecular Weight

415.9 g/mol

InChI Key

KXWGVTDANRDXRN-UHFFFAOYSA-N

1 2D Structure

CAS 338990-31-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-[1-chloroethoxycarbonyl(methyl)amino]pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

2.1.2 InChI

InChI=1S/C18H26ClN3O6/c1-12(19)27-17(25)22(6)15-13(8-7-9-20-15)11-26-14(23)10-21(5)16(24)28-18(2,3)4/h7-9,12H,10-11H2,1-6H3

2.1.3 InChI Key

KXWGVTDANRDXRN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(OC(=O)N(C)C1=C(C=CC=N1)COC(=O)CN(C)C(=O)OC(C)(C)C)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 338990-31-1

2. [2-[1-chloroethoxycarbonyl(methyl)amino]pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

3. Cid 11281469

4. Mfcd30184953

5. (2-(((1-chloroethoxy)carbonyl) (methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino) Acetate;

6. (2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl N-(tert-butoxycarbonyl)-n-methylglycinate;(2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

7. (2-{[(1-chloroethoxy)carbonyl](methyl)amino}pyridin-3-yl)methyl 2-{[(tert-butoxy)carbonyl](methyl)amino}acetate

8. N-methyl-n-(3-[((n-tert-butoxycarbonyl-n-methylamino)acetoxy)methyl]pyridin-2-yl)carbamic Acid 1-chloroethyl Ester

9. N-methyl-n-(3-[((n-tert-butoxycarbonyl-n-methylamino)acetoxy)methyl)pyridin-2-yl]carbamic Acid 1-chloroethyl Ester

10. Schembl7736866

11. Bcp15295

12. Cs-m3665

13. Sb21150

14. [2-[[(1-chloroethoxy)carbonyl](methyl)amino]pyridin-3-yl]methyl 2-[boc(methyl)amino]acetate

15. (2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl N-(tert-butoxycarbonyl)-n-methylglycinate

16. Ac-30712

17. Ds-11368

18. Sy121918

19. Db-115263

20. F17156

21. A875159

22. (2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)

23. (2-(((1-chloroethoxy)carbonyl) (methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino) Acetate

24. (2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl2-((tert-butoxycarbonyl)(methyl)amino)acetate

25. Glycine,n-((1,1-dimethylethoxy)carbonyl)-n-methyl-,(2-(((1-chloroethoxy)carbonyl)methylamino)-3-pyridinyl)methyl Ester

26. N-methyl-n-[3-[[[methyl(tert-butoxycarbonyl)amino]acetoxy]methyl]-2-pyridyl]carbamic Acid 1-chloroethyl Ester

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₆ClN₃O₆
Molecular Weight	415.9 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	415.1510133 g/mol
Monoisotopic Mass	415.1510133 g/mol
Topological Polar Surface Area	98.3 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	554
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