3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate

C15H19NO5 — CID 166147559

IUPAC3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(=O)n(C2CC2)cc1C(=O)OC(C)(C)C
InChIInChI=1S/C15H19NO5/c1-15(2,3)21-14(19)11-8-16(9-5-6-9)12(17)7-10(11)13(18)20-4/h7-9H,5-6H2,1-4H3
InChIKeyGLXBTXXSPOKVEO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.93
Rot. Bonds3

About 3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate

3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate (PubChem CID 166147559) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate
PubChem CID166147559
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(=O)n(C2CC2)cc1C(=O)OC(C)(C)C
InChIInChI=1S/C15H19NO5/c1-15(2,3)21-14(19)11-8-16(9-5-6-9)12(17)7-10(11)13(18)20-4/h7-9H,5-6H2,1-4H3
InChIKeyGLXBTXXSPOKVEO-UHFFFAOYSA-N
XLogP1.93
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate (CID 166147559) is 3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate is COC(=O)c1cc(=O)n(C2CC2)cc1C(=O)OC(C)(C)C.
What is the InChIKey of 3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate?
The InChIKey is GLXBTXXSPOKVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)11-8-16(9-5-6-9)12(17)7-10(11)13(18)20-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate?
3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 4-O-methyl 1-cyclopropyl-6-oxopyridine-3,4-dicarboxylate is sourced from PubChem (CID 166147559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).