3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid

C10H13NO4S — CID 2756772

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-6-4-5-16-7(6)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeyQAXIGPOUDYLWDU-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.79
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid (PubChem CID 2756772) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
PubChem CID2756772
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-6-4-5-16-7(6)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeyQAXIGPOUDYLWDU-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 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid (CID 2756772) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid is CC(C)(C)OC(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The InChIKey is QAXIGPOUDYLWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-6-4-5-16-7(6)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
3-[(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 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 2756772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).