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

C18H16N2O4 — CID 934582

IUPAC3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1ccco1
InChIInChI=1S/C18H16N2O4/c21-17(22)11-9-14-8-10-15(13-5-2-1-3-6-13)20(14)19-18(23)16-7-4-12-24-16/h1-8,10,12H,9,11H2,(H,19,23)(H,21,22)
InChIKeyRWHHAKAEJQYHJF-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.15
Rot. Bonds6

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

3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid (PubChem CID 934582) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid
PubChem CID934582
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1ccco1
InChIInChI=1S/C18H16N2O4/c21-17(22)11-9-14-8-10-15(13-5-2-1-3-6-13)20(14)19-18(23)16-7-4-12-24-16/h1-8,10,12H,9,11H2,(H,19,23)(H,21,22)
InChIKeyRWHHAKAEJQYHJF-UHFFFAOYSA-N
XLogP3.15
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid?
The IUPAC name of 3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid (CID 934582) is 3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid is O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid?
The InChIKey is RWHHAKAEJQYHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-17(22)11-9-14-8-10-15(13-5-2-1-3-6-13)20(14)19-18(23)16-7-4-12-24-16/h1-8,10,12H,9,11H2,(H,19,23)(H,21,22).
What are the key properties of 3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid?
3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid has a molecular weight of 324.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-carbonylamino)-5-phenylpyrrol-2-yl]propanoic acid is sourced from PubChem (CID 934582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).