2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid

C11H11N3O3S — CID 115283765

IUPAC2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(Cn1cccn1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C11H11N3O3S/c15-9(7-14-5-2-4-12-14)13-10(11(16)17)8-3-1-6-18-8/h1-6,10H,7H2,(H,13,15)(H,16,17)
InChIKeyKPYCNACJKLQZFD-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.89
Rot. Bonds5

About 2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid

2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115283765) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115283765
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(Cn1cccn1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C11H11N3O3S/c15-9(7-14-5-2-4-12-14)13-10(11(16)17)8-3-1-6-18-8/h1-6,10H,7H2,(H,13,15)(H,16,17)
InChIKeyKPYCNACJKLQZFD-UHFFFAOYSA-N
XLogP0.89
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284156
2-(heptanoylamino)-2-thiophen-2-ylacetic acid
CID 115283757
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
CID 95612062
N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
CID 86822216
2-(3-methylsulfonylpropanoylamino)-2-thiophen-2-ylacetic acid
CID 115283854
2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283978
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid
CID 91953225
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid (CID 115283765) is 2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid is O=C(Cn1cccn1)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is KPYCNACJKLQZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c15-9(7-14-5-2-4-12-14)13-10(11(16)17)8-3-1-6-18-8/h1-6,10H,7H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 265.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115283765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).