2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid

C9H12N2O5 — CID 105061531

IUPAC2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid
SMILESCOc1ccc(=O)n(CC(C)(O)C(=O)O)n1
InChIInChI=1S/C9H12N2O5/c1-9(15,8(13)14)5-11-7(12)4-3-6(10-11)16-2/h3-4,15H,5H2,1-2H3,(H,13,14)
InChIKeyRRFVVXHRQOBNDV-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.91
Rot. Bonds4

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

2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid (PubChem CID 105061531) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid
PubChem CID105061531
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid
SMILESCOc1ccc(=O)n(CC(C)(O)C(=O)O)n1
InChIInChI=1S/C9H12N2O5/c1-9(15,8(13)14)5-11-7(12)4-3-6(10-11)16-2/h3-4,15H,5H2,1-2H3,(H,13,14)
InChIKeyRRFVVXHRQOBNDV-UHFFFAOYSA-N
XLogP-0.91
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
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 2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid (CID 105061531) is 2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid is COc1ccc(=O)n(CC(C)(O)C(=O)O)n1.
What is the InChIKey of 2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid?
The InChIKey is RRFVVXHRQOBNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-9(15,8(13)14)5-11-7(12)4-3-6(10-11)16-2/h3-4,15H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid?
2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid has a molecular weight of 228.20 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-methoxy-6-oxopyridazin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105061531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).