3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid

C14H23N3O3 — CID 65261540

IUPAC3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCc1cc(C)n(CC(=O)NC(C)(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C14H23N3O3/c1-9-7-10(2)17(16-9)8-11(18)15-14(5,6)13(3,4)12(19)20/h7H,8H2,1-6H3,(H,15,18)(H,19,20)
InChIKeyDCOQVJHRRAGUDL-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.51
Rot. Bonds5

About 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid

3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65261540) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65261540
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCc1cc(C)n(CC(=O)NC(C)(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C14H23N3O3/c1-9-7-10(2)17(16-9)8-11(18)15-14(5,6)13(3,4)12(19)20/h7H,8H2,1-6H3,(H,15,18)(H,19,20)
InChIKeyDCOQVJHRRAGUDL-UHFFFAOYSA-N
XLogP1.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-ethylbutanoic acid
CID 79807385
2-(3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43648249
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylbut-3-yn-2-yl)acetamide
CID 63999923
2-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113356416
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 113346964
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368159
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
N-(2,3-dihydroxy-2-methylpropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66170031
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid (CID 65261540) is 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid is Cc1cc(C)n(CC(=O)NC(C)(C)C(C)(C)C(=O)O)n1.
What is the InChIKey of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is DCOQVJHRRAGUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9-7-10(2)17(16-9)8-11(18)15-14(5,6)13(3,4)12(19)20/h7H,8H2,1-6H3,(H,15,18)(H,19,20).
What are the key properties of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65261540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).