3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid

C8H10N2O4 — CID 105061538

IUPAC3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid
SMILESCOc1ccc(=O)n(CCC(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-14-6-2-3-7(11)10(9-6)5-4-8(12)13/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyMFJIODBLIFSZPM-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.27
Rot. Bonds4

About 3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid

3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 105061538) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid
PubChem CID105061538
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid
SMILESCOc1ccc(=O)n(CCC(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-14-6-2-3-7(11)10(9-6)5-4-8(12)13/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyMFJIODBLIFSZPM-UHFFFAOYSA-N
XLogP-0.27
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid (CID 105061538) is 3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid is COc1ccc(=O)n(CCC(=O)O)n1.
What is the InChIKey of 3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is MFJIODBLIFSZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-14-6-2-3-7(11)10(9-6)5-4-8(12)13/h2-3H,4-5H2,1H3,(H,12,13).
What are the key properties of 3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 105061538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).