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

C11H17N3O3 — CID 110836652

IUPAC2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCc1cc(CC(=O)NC(C)(C)C(=O)O)n(C)n1
InChIInChI=1S/C11H17N3O3/c1-7-5-8(14(4)13-7)6-9(15)12-11(2,3)10(16)17/h5H,6H2,1-4H3,(H,12,15)(H,16,17)
InChIKeyIAOCTWREWPXBAN-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.25
Rot. Bonds4

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

2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 110836652) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID110836652
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCc1cc(CC(=O)NC(C)(C)C(=O)O)n(C)n1
InChIInChI=1S/C11H17N3O3/c1-7-5-8(14(4)13-7)6-9(15)12-11(2,3)10(16)17/h5H,6H2,1-4H3,(H,12,15)(H,16,17)
InChIKeyIAOCTWREWPXBAN-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
N-(3,5-dimethylphenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110857445
(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 110836656
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 61261702
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
2-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-ethylbutanoic acid
CID 79809719
2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487225
N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 167914863
2-(2,5-dimethylpyrazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110858132
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
CID 79044913
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110851373

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid (CID 110836652) is 2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid is Cc1cc(CC(=O)NC(C)(C)C(=O)O)n(C)n1.
What is the InChIKey of 2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is IAOCTWREWPXBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-5-8(14(4)13-7)6-9(15)12-11(2,3)10(16)17/h5H,6H2,1-4H3,(H,12,15)(H,16,17).
What are the key properties of 2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 110836652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).