4-amino-5-methoxycarbonylthiophene-2-carboxylic acid

C7H7NO4S — CID 45089562

IUPAC4-amino-5-methoxycarbonylthiophene-2-carboxylic acid
SMILESCOC(=O)c1sc(C(=O)O)cc1N
InChIInChI=1S/C7H7NO4S/c1-12-7(11)5-3(8)2-4(13-5)6(9)10/h2H,8H2,1H3,(H,9,10)
InChIKeyURDKTIQHWDIECK-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.82
Rot. Bonds2

About 4-amino-5-methoxycarbonylthiophene-2-carboxylic acid

4-amino-5-methoxycarbonylthiophene-2-carboxylic acid (PubChem CID 45089562) has the molecular formula C7H7NO4S and a molecular weight of 201.20 g/mol. Its IUPAC name is 4-amino-5-methoxycarbonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-methoxycarbonylthiophene-2-carboxylic acid
PubChem CID45089562
Molecular FormulaC7H7NO4S
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name4-amino-5-methoxycarbonylthiophene-2-carboxylic acid
SMILESCOC(=O)c1sc(C(=O)O)cc1N
InChIInChI=1S/C7H7NO4S/c1-12-7(11)5-3(8)2-4(13-5)6(9)10/h2H,8H2,1H3,(H,9,10)
InChIKeyURDKTIQHWDIECK-UHFFFAOYSA-N
XLogP0.82
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methoxycarbonylthiophene-2-carboxylic acid?
The IUPAC name of 4-amino-5-methoxycarbonylthiophene-2-carboxylic acid (CID 45089562) is 4-amino-5-methoxycarbonylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-amino-5-methoxycarbonylthiophene-2-carboxylic acid?
The canonical SMILES for 4-amino-5-methoxycarbonylthiophene-2-carboxylic acid is COC(=O)c1sc(C(=O)O)cc1N.
What is the InChIKey of 4-amino-5-methoxycarbonylthiophene-2-carboxylic acid?
The InChIKey is URDKTIQHWDIECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S/c1-12-7(11)5-3(8)2-4(13-5)6(9)10/h2H,8H2,1H3,(H,9,10).
What are the key properties of 4-amino-5-methoxycarbonylthiophene-2-carboxylic acid?
4-amino-5-methoxycarbonylthiophene-2-carboxylic acid has a molecular weight of 201.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methoxycarbonylthiophene-2-carboxylic acid is sourced from PubChem (CID 45089562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).