3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid

C10H14N2O5 — CID 146218577

IUPAC3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid
SMILESCc1c(OCCOCCC(=O)O)cn[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-7-8(6-11-12-10(7)15)17-5-4-16-3-2-9(13)14/h6H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyMPUKVKWSLWKBIA-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.05
Rot. Bonds7

About 3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid

3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid (PubChem CID 146218577) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid
PubChem CID146218577
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid
SMILESCc1c(OCCOCCC(=O)O)cn[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-7-8(6-11-12-10(7)15)17-5-4-16-3-2-9(13)14/h6H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyMPUKVKWSLWKBIA-UHFFFAOYSA-N
XLogP-0.05
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid (CID 146218577) is 3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid is Cc1c(OCCOCCC(=O)O)cn[nH]c1=O.
What is the InChIKey of 3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid?
The InChIKey is MPUKVKWSLWKBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-7-8(6-11-12-10(7)15)17-5-4-16-3-2-9(13)14/h6H,2-5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid?
3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-methyl-6-oxo-1H-pyridazin-4-yl)oxy]ethoxy]propanoic acid is sourced from PubChem (CID 146218577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).