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

C8H10N2O3 — CID 82235914

IUPAC2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1ncccc1=O
InChIInChI=1S/C8H10N2O3/c1-8(2,7(12)13)10-6(11)4-3-5-9-10/h3-5H,1-2H3,(H,12,13)
InChIKeyYCXJPWROVLAOQF-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.06
Rot. Bonds2

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

2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid (PubChem CID 82235914) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid
PubChem CID82235914
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1ncccc1=O
InChIInChI=1S/C8H10N2O3/c1-8(2,7(12)13)10-6(11)4-3-5-9-10/h3-5H,1-2H3,(H,12,13)
InChIKeyYCXJPWROVLAOQF-UHFFFAOYSA-N
XLogP0.06
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-oxopyridazin-1(6H)-yl)propanoic acid
CID 52992014
2-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 69081059
2-(6-Oxopyridazin-1-yl)butanoic acid
CID 156207441
2-(3-Chloro-6-oxopyridazin-1-yl)-2-methylpropanoic acid
CID 176020143
(2S)-2-(6-oxopyridazin-1-yl)propanoic acid
CID 51606317
(2R)-2-(6-oxopyridazin-1-yl)propanoic acid
CID 51606319
2-Methyl-2-(3-methyl-6-oxopyridazin-1(6H)-yl)propanoic acid
CID 82235962
2-Methyl-2-(6-oxopyridazin-1-yl)butanoic acid
CID 82237758
2-Ethyl-2-(6-oxopyridazin-1-yl)butanoic acid
CID 82239546
3-Methoxy-2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid
CID 82239547
2-Methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
CID 82239548
2,4-Dimethyl-2-(6-oxopyridazin-1-yl)pentanoic acid
CID 82239549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid (CID 82235914) is 2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid is CC(C)(C(=O)O)n1ncccc1=O.
What is the InChIKey of 2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is YCXJPWROVLAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-8(2,7(12)13)10-6(11)4-3-5-9-10/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid?
2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 82235914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).