3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid

C14H13NO3S — CID 75482469

IUPAC3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccsc2)cc1
InChIInChI=1S/C14H13NO3S/c16-13(17)6-3-10-1-4-12(5-2-10)15-14(18)11-7-8-19-9-11/h1-2,4-5,7-9H,3,6H2,(H,15,18)(H,16,17)
InChIKeyDRVFMISJBXNZLQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.02
Rot. Bonds5

About 3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid

3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid (PubChem CID 75482469) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid
PubChem CID75482469
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccsc2)cc1
InChIInChI=1S/C14H13NO3S/c16-13(17)6-3-10-1-4-12(5-2-10)15-14(18)11-7-8-19-9-11/h1-2,4-5,7-9H,3,6H2,(H,15,18)(H,16,17)
InChIKeyDRVFMISJBXNZLQ-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid (CID 75482469) is 3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)c2ccsc2)cc1.
What is the InChIKey of 3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid?
The InChIKey is DRVFMISJBXNZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(17)6-3-10-1-4-12(5-2-10)15-14(18)11-7-8-19-9-11/h1-2,4-5,7-9H,3,6H2,(H,15,18)(H,16,17).
What are the key properties of 3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid?
3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid has a molecular weight of 275.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(thiophene-3-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 75482469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).