5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid

C11H13NO3S — CID 115910451

IUPAC5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC1CC(NC(=O)c2ccc(C(=O)O)s2)C1
InChIInChI=1S/C11H13NO3S/c1-6-4-7(5-6)12-10(13)8-2-3-9(16-8)11(14)15/h2-3,6-7H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyQTKFMBNEDJVVNL-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.97
Rot. Bonds3

About 5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid

5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 115910451) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID115910451
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC1CC(NC(=O)c2ccc(C(=O)O)s2)C1
InChIInChI=1S/C11H13NO3S/c1-6-4-7(5-6)12-10(13)8-2-3-9(16-8)11(14)15/h2-3,6-7H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyQTKFMBNEDJVVNL-UHFFFAOYSA-N
XLogP1.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid (CID 115910451) is 5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid is CC1CC(NC(=O)c2ccc(C(=O)O)s2)C1.
What is the InChIKey of 5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is QTKFMBNEDJVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-6-4-7(5-6)12-10(13)8-2-3-9(16-8)11(14)15/h2-3,6-7H,4-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 115910451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).