3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid

C16H14N2O4S — CID 935288

IUPAC3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccco1
InChIInChI=1S/C16H14N2O4S/c19-15(20)8-6-11-5-7-12(14-4-2-10-23-14)18(11)17-16(21)13-3-1-9-22-13/h1-5,7,9-10H,6,8H2,(H,17,21)(H,19,20)
InChIKeySTJROFSIHBZKBU-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.21
Rot. Bonds6

About 3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid

3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid (PubChem CID 935288) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
PubChem CID935288
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccco1
InChIInChI=1S/C16H14N2O4S/c19-15(20)8-6-11-5-7-12(14-4-2-10-23-14)18(11)17-16(21)13-3-1-9-22-13/h1-5,7,9-10H,6,8H2,(H,17,21)(H,19,20)
InChIKeySTJROFSIHBZKBU-UHFFFAOYSA-N
XLogP3.21
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid?
The IUPAC name of 3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid (CID 935288) is 3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid is O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid?
The InChIKey is STJROFSIHBZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c19-15(20)8-6-11-5-7-12(14-4-2-10-23-14)18(11)17-16(21)13-3-1-9-22-13/h1-5,7,9-10H,6,8H2,(H,17,21)(H,19,20).
What are the key properties of 3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid?
3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid has a molecular weight of 330.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid is sourced from PubChem (CID 935288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).