5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid

C11H15NO4S — CID 104764730

IUPAC5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCOC(C)(C)CNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO4S/c1-11(2,16-3)6-12-9(13)7-4-5-8(17-7)10(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyLNJUWZATXAMODO-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.60
Rot. Bonds5

About 5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid

5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 104764730) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID104764730
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCOC(C)(C)CNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO4S/c1-11(2,16-3)6-12-9(13)7-4-5-8(17-7)10(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyLNJUWZATXAMODO-UHFFFAOYSA-N
XLogP1.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid (CID 104764730) is 5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid is COC(C)(C)CNC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is LNJUWZATXAMODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-11(2,16-3)6-12-9(13)7-4-5-8(17-7)10(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid?
5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-methylpropyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 104764730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).