1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid

C14H17NO5 — CID 166147663

IUPAC1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)c1cn(C2CC2)c(=O)cc1C(=O)O
InChIInChI=1S/C14H17NO5/c1-14(2,3)20-13(19)10-7-15(8-4-5-8)11(16)6-9(10)12(17)18/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyMBKJVUVWXRZYLY-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.84
Rot. Bonds3

About 1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid

1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 166147663) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid
PubChem CID166147663
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)c1cn(C2CC2)c(=O)cc1C(=O)O
InChIInChI=1S/C14H17NO5/c1-14(2,3)20-13(19)10-7-15(8-4-5-8)11(16)6-9(10)12(17)18/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyMBKJVUVWXRZYLY-UHFFFAOYSA-N
XLogP1.84
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid (CID 166147663) is 1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid is CC(C)(C)OC(=O)c1cn(C2CC2)c(=O)cc1C(=O)O.
What is the InChIKey of 1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is MBKJVUVWXRZYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-14(2,3)20-13(19)10-7-15(8-4-5-8)11(16)6-9(10)12(17)18/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid?
1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 166147663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).