methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate

C14H19NO6 — CID 102564818

IUPACmethyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)CC(c1c(O)c(C(=O)OC)c[nH]c1=O)C(C)C
InChIInChI=1S/C14H19NO6/c1-7(2)8(5-10(16)20-3)11-12(17)9(14(19)21-4)6-15-13(11)18/h6-8H,5H2,1-4H3,(H2,15,17,18)
InChIKeyUOLFYGFZPBXVDZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.17
Rot. Bonds5

About methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate

methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 102564818) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate
PubChem CID102564818
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Namemethyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)CC(c1c(O)c(C(=O)OC)c[nH]c1=O)C(C)C
InChIInChI=1S/C14H19NO6/c1-7(2)8(5-10(16)20-3)11-12(17)9(14(19)21-4)6-15-13(11)18/h6-8H,5H2,1-4H3,(H2,15,17,18)
InChIKeyUOLFYGFZPBXVDZ-UHFFFAOYSA-N
XLogP1.17
TPSA105.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate (CID 102564818) is methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate is COC(=O)CC(c1c(O)c(C(=O)OC)c[nH]c1=O)C(C)C.
What is the InChIKey of methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is UOLFYGFZPBXVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-7(2)8(5-10(16)20-3)11-12(17)9(14(19)21-4)6-15-13(11)18/h6-8H,5H2,1-4H3,(H2,15,17,18).
What are the key properties of methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate?
methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 102564818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).