4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid

C12H19N3O4 — CID 114393951

IUPAC4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid
SMILESCOCCN(C)c1cnn(CCCC(=O)O)c(=O)c1
InChIInChI=1S/C12H19N3O4/c1-14(6-7-19-2)10-8-11(16)15(13-9-10)5-3-4-12(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyAVMIOZFPLQPVEJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.19
Rot. Bonds8

About 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid

4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid (PubChem CID 114393951) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid
PubChem CID114393951
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid
SMILESCOCCN(C)c1cnn(CCCC(=O)O)c(=O)c1
InChIInChI=1S/C12H19N3O4/c1-14(6-7-19-2)10-8-11(16)15(13-9-10)5-3-4-12(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyAVMIOZFPLQPVEJ-UHFFFAOYSA-N
XLogP0.19
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid (CID 114393951) is 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid is COCCN(C)c1cnn(CCCC(=O)O)c(=O)c1.
What is the InChIKey of 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid?
The InChIKey is AVMIOZFPLQPVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-14(6-7-19-2)10-8-11(16)15(13-9-10)5-3-4-12(17)18/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid?
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanoic acid is sourced from PubChem (CID 114393951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).