tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate

C14H22N2O4 — CID 174830370

IUPACtert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate
SMILESCOC(C)=O.Cc1c(C(=O)OC(C)(C)C)ccnc1N
InChIInChI=1S/C11H16N2O2.C3H6O2/c1-7-8(5-6-13-9(7)12)10(14)15-11(2,3)4;1-3(4)5-2/h5-6H,1-4H3,(H2,12,13);1-2H3
InChIKeyVGVQMRBIGSDCGZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.11
Rot. Bonds1

About tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate

tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate (PubChem CID 174830370) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate
PubChem CID174830370
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate
SMILESCOC(C)=O.Cc1c(C(=O)OC(C)(C)C)ccnc1N
InChIInChI=1S/C11H16N2O2.C3H6O2/c1-7-8(5-6-13-9(7)12)10(14)15-11(2,3)4;1-3(4)5-2/h5-6H,1-4H3,(H2,12,13);1-2H3
InChIKeyVGVQMRBIGSDCGZ-UHFFFAOYSA-N
XLogP2.11
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate?
The IUPAC name of tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate (CID 174830370) is tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate.
What is the SMILES notation for tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate?
The canonical SMILES for tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate is COC(C)=O.Cc1c(C(=O)OC(C)(C)C)ccnc1N.
What is the InChIKey of tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate?
The InChIKey is VGVQMRBIGSDCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C3H6O2/c1-7-8(5-6-13-9(7)12)10(14)15-11(2,3)4;1-3(4)5-2/h5-6H,1-4H3,(H2,12,13);1-2H3.
What are the key properties of tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate?
tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate has a molecular weight of 282.34 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate is sourced from PubChem (CID 174830370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).