4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate

C16H21NO5 — CID 138584763

IUPAC4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC(C)(C)C)cc(OC2CCC2)n1
InChIInChI=1S/C16H21NO5/c1-16(2,3)22-14(18)10-8-12(15(19)20-4)17-13(9-10)21-11-6-5-7-11/h8-9,11H,5-7H2,1-4H3
InChIKeyZGJLGSWUMGZLOC-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.75
Rot. Bonds4

About 4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate

4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate (PubChem CID 138584763) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate
PubChem CID138584763
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC(C)(C)C)cc(OC2CCC2)n1
InChIInChI=1S/C16H21NO5/c1-16(2,3)22-14(18)10-8-12(15(19)20-4)17-13(9-10)21-11-6-5-7-11/h8-9,11H,5-7H2,1-4H3
InChIKeyZGJLGSWUMGZLOC-UHFFFAOYSA-N
XLogP2.75
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate
CID 131997252
methyl 6-cycloheptyloxypyridine-2-carboxylate
CID 86694648
tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate
CID 133059070
tert-butyl 2-cyano-2-(4,6-dicyclohexyloxypyrimidin-2-yl)acetate
CID 67959271
methyl 4-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-cyclopropylpyridine-2-carboxylate
CID 172589241
tert-butyl 3,5-dicarbonochloridoylbenzoate
CID 58288787
1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one
CID 130427336
methyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 166070921
methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate
CID 122239307
dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate
CID 139320839
tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 86666505
2-O-tert-butyl 6-O,7-O-dimethyl 9H-indeno[2,1-b]pyridine-2,6,7-tricarboxylate
CID 141154852

Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate (CID 138584763) is 4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate is COC(=O)c1cc(C(=O)OC(C)(C)C)cc(OC2CCC2)n1.
What is the InChIKey of 4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate?
The InChIKey is ZGJLGSWUMGZLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-16(2,3)22-14(18)10-8-12(15(19)20-4)17-13(9-10)21-11-6-5-7-11/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate?
4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate has a molecular weight of 307.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate is sourced from PubChem (CID 138584763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).