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

C11H15NO4S — CID 19100748

IUPAC4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H15NO4S/c1-6-5-17-8(9(13)14)7(6)12-10(15)16-11(2,3)4/h5H,1-4H3,(H,12,15)(H,13,14)
InChIKeyGCJZAIYSOGXZFK-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.10
Rot. Bonds2

About 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid

4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid (PubChem CID 19100748) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
PubChem CID19100748
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H15NO4S/c1-6-5-17-8(9(13)14)7(6)12-10(15)16-11(2,3)4/h5H,1-4H3,(H,12,15)(H,13,14)
InChIKeyGCJZAIYSOGXZFK-UHFFFAOYSA-N
XLogP3.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid (CID 19100748) is 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)OC(C)(C)C.
What is the InChIKey of 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
The InChIKey is GCJZAIYSOGXZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-6-5-17-8(9(13)14)7(6)12-10(15)16-11(2,3)4/h5H,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid?
4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 19100748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).