2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid

C8H10N2O4 — CID 105061535

IUPAC2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid
SMILESCOc1ccc(=O)n(C(C)C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-5(8(12)13)10-7(11)4-3-6(9-10)14-2/h3-5H,1-2H3,(H,12,13)
InChIKeyCVIAXCRJNHSRDO-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.10
Rot. Bonds3

About 2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid

2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 105061535) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid
PubChem CID105061535
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid
SMILESCOc1ccc(=O)n(C(C)C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-5(8(12)13)10-7(11)4-3-6(9-10)14-2/h3-5H,1-2H3,(H,12,13)
InChIKeyCVIAXCRJNHSRDO-UHFFFAOYSA-N
XLogP-0.10
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid (CID 105061535) is 2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid is COc1ccc(=O)n(C(C)C(=O)O)n1.
What is the InChIKey of 2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is CVIAXCRJNHSRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5(8(12)13)10-7(11)4-3-6(9-10)14-2/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid?
2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 105061535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).