3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid

C10H13NO3S — CID 2764039

IUPAC3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid
SMILESCC(C)(C)C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C10H13NO3S/c1-10(2,3)9(14)11-6-4-5-15-7(6)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeyXICCLOZJMBDTQZ-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.43
Rot. Bonds2

About 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid

3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid (PubChem CID 2764039) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid
PubChem CID2764039
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid
SMILESCC(C)(C)C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C10H13NO3S/c1-10(2,3)9(14)11-6-4-5-15-7(6)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeyXICCLOZJMBDTQZ-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-(methoxycarbothioylamino)thiophene-2-carboxylate
CID 2808356
Methyl 3-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate
CID 25116550
3-(Benzoylamino)-2-thiophenecarboxylic acid
CID 2764129
Methyl 3-[(cyclopropylcarbonyl)amino]-2-thiophenecarboxylate
CID 2808367
Methyl 3-(2-chloroacetamido)thiophene-2-carboxylate
CID 736568
Methyl 3-[2-(phenylsulfanyl)acetamido]thiophene-2-carboxylate
CID 2970705
3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid
CID 3815065
4-{[2-(Methoxycarbonyl)-4-methyl-3-thienyl]amino}-4-oxobut-2-enoic acid
CID 5899215
Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate
CID 2805185
Methyl 3-((tert-butoxycarbonyl)amino)thiophene-2-carboxylate
CID 18925408
3-Acetamidothiophene-2-carboxylic acid
CID 2807579
2-thiophenecarboxylic acid, 3-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-, 2-methyl ester
CID 5885161

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid (CID 2764039) is 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid is CC(C)(C)C(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid?
The InChIKey is XICCLOZJMBDTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-10(2,3)9(14)11-6-4-5-15-7(6)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid?
3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 2764039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).