1180002-01-0

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

3 Suppliers, 2 End Use APIs, 31 Related Intermediates

3 Suppliers
2 End Use APIs
31 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 1180002-01-0, [2-(methylamino)-3-pyridyl]methyl 2-[boc(methyl)amino]acetate, Mfcd29036978, (2-(methylamino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl) amino)acetate, [2-(methylamino)pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate, Glycine, n-[(1,1-dimethylethoxy)carbonyl]-n-methyl-, [2-(methylamino)-3-pyridinyl]methyl ester

Molecular Formula

C₁₅H₂₃N₃O₄

Molecular Weight

309.36 g/mol

InChI Key

SREJHHORJXVQGX-UHFFFAOYSA-N

1 2D Structure

1180002-01-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18(5)9-12(19)21-10-11-7-6-8-17-13(11)16-4/h6-8H,9-10H2,1-5H3,(H,16,17)

2.1.3 InChI Key

SREJHHORJXVQGX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N(C)CC(=O)OCC1=C(N=CC=C1)NC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1180002-01-0

2. [2-(methylamino)-3-pyridyl]methyl 2-[boc(methyl)amino]acetate

3. Mfcd29036978

4. (2-(methylamino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl) Amino)acetate

5. [2-(methylamino)pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

6. Glycine, N-[(1,1-dimethylethoxy)carbonyl]-n-methyl-, [2-(methylamino)-3-pyridinyl]methyl Ester

7. 2-(methylamino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

8. N-[(1,1-dimethylethoxy)carbonyl]-n-methylglycine [2-(methylamino)-3-pyridinyl]methyl Ester

9. N-((1,1-dimethylethoxy)carbonyl)-n-methylglycine (2-(methylamino)-3-pyridinyl)methyl Ester

10. Schembl22905989

11. Dtxsid401122156

12. Bcp15294

13. Cs-m3195

14. Zinc299754577

15. Ac-29740

16. Ds-19250

17. Sy226331

18. Db-115697

19. A898973

20. (2-(methylamino)pyridin-3-yl)methyl N-(tert-butoxycarbonyl)-n-methylglycinat

21. (2-(methylamino)pyridin-3-yl)methyl2-((tert-butoxycarbonyl)(methyl)amino)acetate

2.3 Create Date

2016-03-02

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₃N₃O₄
Molecular Weight	309.36 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	309.16885622 g/mol
Monoisotopic Mass	309.16885622 g/mol
Topological Polar Surface Area	80.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1