2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid

C8H12N2O3 — CID 83846899

IUPAC2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
SMILESCn1[nH]c(C(C)(C)C(=O)O)cc1=O
InChIInChI=1S/C8H12N2O3/c1-8(2,7(12)13)5-4-6(11)10(3)9-5/h4,9H,1-3H3,(H,12,13)
InChIKeyJXVDZGAFSWORBS-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.08
Rot. Bonds2

About 2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid

2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid (PubChem CID 83846899) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
PubChem CID83846899
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
SMILESCn1[nH]c(C(C)(C)C(=O)O)cc1=O
InChIInChI=1S/C8H12N2O3/c1-8(2,7(12)13)5-4-6(11)10(3)9-5/h4,9H,1-3H3,(H,12,13)
InChIKeyJXVDZGAFSWORBS-UHFFFAOYSA-N
XLogP0.08
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid (CID 83846899) is 2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid is Cn1[nH]c(C(C)(C)C(=O)O)cc1=O.
What is the InChIKey of 2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
The InChIKey is JXVDZGAFSWORBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2,7(12)13)5-4-6(11)10(3)9-5/h4,9H,1-3H3,(H,12,13).
What are the key properties of 2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 83846899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).