5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid

C10H13NO4S — CID 22105569

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-7-5-4-6(16-7)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeySJDHQBPIYARAPS-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.79
Rot. Bonds2

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid

5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid (PubChem CID 22105569) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
PubChem CID22105569
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-7-5-4-6(16-7)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeySJDHQBPIYARAPS-UHFFFAOYSA-N
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid (CID 22105569) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The InChIKey is SJDHQBPIYARAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-7-5-4-6(16-7)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid has a molecular weight of 243.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 22105569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).