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2D Structure
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

2D Structure

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 Weight 415.9 g/mol
Molecular Formula C18H26ClN3O6
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass415.1510133 g/mol
Monoisotopic Mass415.1510133 g/mol
Topological Polar Surface Area98.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1