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

C8H12N2O3 — CID 83846892

IUPAC2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
SMILESCn1[nH]c(=O)cc1C(C)(C)C(=O)O
InChIInChI=1S/C8H12N2O3/c1-8(2,7(12)13)5-4-6(11)9-10(5)3/h4H,1-3H3,(H,9,11)(H,12,13)
InChIKeyARMJWRBEUHYZDU-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.08
Rot. Bonds2

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

2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid (PubChem CID 83846892) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
PubChem CID83846892
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
SMILESCn1[nH]c(=O)cc1C(C)(C)C(=O)O
InChIInChI=1S/C8H12N2O3/c1-8(2,7(12)13)5-4-6(11)9-10(5)3/h4H,1-3H3,(H,9,11)(H,12,13)
InChIKeyARMJWRBEUHYZDU-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid (CID 83846892) is 2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid is Cn1[nH]c(=O)cc1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid?
The InChIKey is ARMJWRBEUHYZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2,7(12)13)5-4-6(11)9-10(5)3/h4H,1-3H3,(H,9,11)(H,12,13).
What are the key properties of 2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid?
2-methyl-2-(2-methyl-5-oxo-1H-pyrazol-3-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-5-oxo-1H-pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 83846892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).