2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid

C8H10N2O3 — CID 62848719

IUPAC2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid
SMILESCC(Cn1ncccc1=O)C(=O)O
InChIInChI=1S/C8H10N2O3/c1-6(8(12)13)5-10-7(11)3-2-4-9-10/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyWZTZTKBSPRCJGG-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.04
Rot. Bonds3

About 2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid

2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid (PubChem CID 62848719) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid
PubChem CID62848719
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid
SMILESCC(Cn1ncccc1=O)C(=O)O
InChIInChI=1S/C8H10N2O3/c1-6(8(12)13)5-10-7(11)3-2-4-9-10/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyWZTZTKBSPRCJGG-UHFFFAOYSA-N
XLogP-0.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Oxo-2,3-dihydropyridazine-2-propanoic acid
CID 62850301
3,3,3-Trifluoro-2-[(6-oxopyridazin-1-yl)methyl]propanoic acid
CID 103773375
3,3,3-Trifluoro-2-[(6-oxopyridazin-1-yl)methyl]propanoic acid
CID 103773375
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanoic acid
CID 106548385
2,2-Difluoro-3-(6-oxo-1,6-dihydropyridazin-1-yl)propanoic acid
CID 165832469
Ethyl-3-(3-oxo-2-pyridazinyl)propionate
CID 20300059
2-[(6-Oxopyridazin-1-yl)methyl]butanoic acid
CID 70592486
2-Isobutyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
CID 97181361
Methyl 3-(6-oxopyridazin-1-yl)propanoate
CID 62850480
4-(6-oxopyridazin-1(6H)-yl)butanoic acid
CID 62851008
4-(6-oxopyridazin-1(6H)-yl)butanoic acid
CID 62851008
2-Methyl-3-(3-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 62923351

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid (CID 62848719) is 2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid is CC(Cn1ncccc1=O)C(=O)O.
What is the InChIKey of 2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is WZTZTKBSPRCJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-6(8(12)13)5-10-7(11)3-2-4-9-10/h2-4,6H,5H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid?
2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 62848719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).