1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate

C14H21NO5 — CID 54716746

IUPAC1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate
SMILESCC[C@@H]1C(O)=C(C(=O)OC)C=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO5/c1-6-10-11(16)9(12(17)19-5)7-8-15(10)13(18)20-14(2,3)4/h7-8,10,16H,6H2,1-5H3/t10-/m1/s1
InChIKeyPCBNOWDAYWNSRH-SNVBAGLBSA-N
MW283.32 g/mol
LogP2.51
Rot. Bonds2

About 1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate

1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate (PubChem CID 54716746) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate
PubChem CID54716746
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate
SMILESCC[C@@H]1C(O)=C(C(=O)OC)C=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO5/c1-6-10-11(16)9(12(17)19-5)7-8-15(10)13(18)20-14(2,3)4/h7-8,10,16H,6H2,1-5H3/t10-/m1/s1
InChIKeyPCBNOWDAYWNSRH-SNVBAGLBSA-N
XLogP2.51
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 102380183
1-O-tert-butyl 3-O-ethyl 6-O,7-O-dimethyl (3aS,7aR)-2-(hydroxymethyl)-3a,7a-dihydroindole-1,3,6,7-tetracarboxylate
CID 102380177
tert-butyl 4-oxo-2-pentyl-2,3-dihydropyridine-1-carboxylate
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2-O-tert-butyl 4-O-methyl (2R)-1-acetyl-2,3-dihydropyrrole-2,4-dicarboxylate
CID 121299750
tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate
CID 167590283
tert-butyl 5-(4-methoxycarbonylphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 177118815
CID 163664443
CID 163664443
tert-butyl (2S)-2-ethyl-3-oxopyrrolidine-1-carboxylate
CID 96612564
methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 166446133
tert-butyl 2-ethyl-3-oxopyrrolidine-1-carboxylate
CID 82394195
1-O-tert-butyl 2-O-methyl 4-fluoro-6-methylindole-1,2-dicarboxylate
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tert-butyl 3-(4-methoxycarbonylphenyl)azetidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate (CID 54716746) is 1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate is CC[C@@H]1C(O)=C(C(=O)OC)C=CN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate?
The InChIKey is PCBNOWDAYWNSRH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21NO5/c1-6-10-11(16)9(12(17)19-5)7-8-15(10)13(18)20-14(2,3)4/h7-8,10,16H,6H2,1-5H3/t10-/m1/s1.
What are the key properties of 1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate has a molecular weight of 283.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-methyl (2R)-2-ethyl-3-hydroxy-2H-pyridine-1,4-dicarboxylate is sourced from PubChem (CID 54716746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).