2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid

C7H10N2O3 — CID 82412595

IUPAC2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H10N2O3/c1-7(2,6(11)12)4-3-5(10)9-8-4/h3H,1-2H3,(H,11,12)(H2,8,9,10)
InChIKeyGXQTVFURFLIDFP-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.07
Rot. Bonds2

About 2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid

2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid (PubChem CID 82412595) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
PubChem CID82412595
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H10N2O3/c1-7(2,6(11)12)4-3-5(10)9-8-4/h3H,1-2H3,(H,11,12)(H2,8,9,10)
InChIKeyGXQTVFURFLIDFP-UHFFFAOYSA-N
XLogP0.07
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-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-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid (CID 82412595) is 2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid is CC(C)(C(=O)O)c1cc(=O)[nH][nH]1.
What is the InChIKey of 2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
The InChIKey is GXQTVFURFLIDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-7(2,6(11)12)4-3-5(10)9-8-4/h3H,1-2H3,(H,11,12)(H2,8,9,10).
What are the key properties of 2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid?
2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid is sourced from PubChem (CID 82412595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).