3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid

C9H12N2O5 — CID 105061548

IUPAC3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid
SMILESCOc1ccc(=O)n(CC(O)CC(=O)O)n1
InChIInChI=1S/C9H12N2O5/c1-16-7-2-3-8(13)11(10-7)5-6(12)4-9(14)15/h2-3,6,12H,4-5H2,1H3,(H,14,15)
InChIKeyPARWMEHYSIRAHP-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.91
Rot. Bonds5

About 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid

3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 105061548) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid
PubChem CID105061548
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid
SMILESCOc1ccc(=O)n(CC(O)CC(=O)O)n1
InChIInChI=1S/C9H12N2O5/c1-16-7-2-3-8(13)11(10-7)5-6(12)4-9(14)15/h2-3,6,12H,4-5H2,1H3,(H,14,15)
InChIKeyPARWMEHYSIRAHP-UHFFFAOYSA-N
XLogP-0.91
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid (CID 105061548) is 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid is COc1ccc(=O)n(CC(O)CC(=O)O)n1.
What is the InChIKey of 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is PARWMEHYSIRAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-16-7-2-3-8(13)11(10-7)5-6(12)4-9(14)15/h2-3,6,12H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid?
3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 228.20 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 105061548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).