2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid

C11H18N2O3 — CID 132990749

IUPAC2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid
SMILESCC(C)COc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C11H18N2O3/c1-8(2)7-16-9-5-12-13(6-9)11(3,4)10(14)15/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyNZTKQNXOQLITSA-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.74
Rot. Bonds5

About 2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid

2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid (PubChem CID 132990749) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid
PubChem CID132990749
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid
SMILESCC(C)COc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C11H18N2O3/c1-8(2)7-16-9-5-12-13(6-9)11(3,4)10(14)15/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyNZTKQNXOQLITSA-UHFFFAOYSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]propanoic acid
CID 132990752
2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid
CID 132990753
2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696595
2-[4-(2,3-dimethylpentanoylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697322
2-methyl-2-[4-(3-propan-2-yloxypropanoylamino)pyrazol-1-yl]propanoic acid
CID 120696798
2-chloro-3-(1-propan-2-ylpyrazol-4-yl)oxypropanoic acid
CID 116804052
1-tert-butyl-4-ethoxypyrazole;ethane
CID 162757233
2-[1-(2-methylpropyl)pyrazol-4-yl]oxyacetic acid
CID 156587215
2-[4-[3-(4-methoxyphenyl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696934
2-methyl-2-[4-[(2-propan-2-ylsulfonylacetyl)amino]pyrazol-1-yl]propanoic acid
CID 120696216
ethyl 2-[4-(6-aminohexoxy)pyrazol-1-yl]-2-methylpropanoate
CID 163321358
2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid (CID 132990749) is 2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid is CC(C)COc1cnn(C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid?
The InChIKey is NZTKQNXOQLITSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(2)7-16-9-5-12-13(6-9)11(3,4)10(14)15/h5-6,8H,7H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 132990749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).