3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid

C10H14N2O4 — CID 82442528

IUPAC3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid
SMILESCOCCn1nc(CCC(=O)O)ccc1=O
InChIInChI=1S/C10H14N2O4/c1-16-7-6-12-9(13)4-2-8(11-12)3-5-10(14)15/h2,4H,3,5-7H2,1H3,(H,14,15)
InChIKeyVNWDEKIHKHEKDK-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.09
Rot. Bonds6

About 3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid

3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid (PubChem CID 82442528) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid
PubChem CID82442528
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid
SMILESCOCCn1nc(CCC(=O)O)ccc1=O
InChIInChI=1S/C10H14N2O4/c1-16-7-6-12-9(13)4-2-8(11-12)3-5-10(14)15/h2,4H,3,5-7H2,1H3,(H,14,15)
InChIKeyVNWDEKIHKHEKDK-UHFFFAOYSA-N
XLogP-0.09
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442484
6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442478
3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 61008268
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride
CID 82442315
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818105
6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 106672046
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 66172187
(2S)-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362071

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid (CID 82442528) is 3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid is COCCn1nc(CCC(=O)O)ccc1=O.
What is the InChIKey of 3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid?
The InChIKey is VNWDEKIHKHEKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-16-7-6-12-9(13)4-2-8(11-12)3-5-10(14)15/h2,4H,3,5-7H2,1H3,(H,14,15).
What are the key properties of 3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid?
3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid has a molecular weight of 226.23 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid is sourced from PubChem (CID 82442528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).