1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid

C10H10N2O5 — CID 142605828

IUPAC1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(C2CN(C(=O)O)C2)c(=O)c1
InChIInChI=1S/C10H10N2O5/c13-8-3-6(9(14)15)1-2-12(8)7-4-11(5-7)10(16)17/h1-3,7H,4-5H2,(H,14,15)(H,16,17)
InChIKeyFUMILEBUWHMHAL-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.08
Rot. Bonds2

About 1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid

1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid (PubChem CID 142605828) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid
PubChem CID142605828
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(C2CN(C(=O)O)C2)c(=O)c1
InChIInChI=1S/C10H10N2O5/c13-8-3-6(9(14)15)1-2-12(8)7-4-11(5-7)10(16)17/h1-3,7H,4-5H2,(H,14,15)(H,16,17)
InChIKeyFUMILEBUWHMHAL-UHFFFAOYSA-N
XLogP0.08
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid (CID 142605828) is 1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccn(C2CN(C(=O)O)C2)c(=O)c1.
What is the InChIKey of 1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is FUMILEBUWHMHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c13-8-3-6(9(14)15)1-2-12(8)7-4-11(5-7)10(16)17/h1-3,7H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid?
1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 238.20 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 142605828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).