2-(furan-2-carbonylamino)-3-phenylpropanoic acid

C14H13NO4 — CID 3131249

IUPAC2-(furan-2-carbonylamino)-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1ccco1
InChIInChI=1S/C14H13NO4/c16-13(12-7-4-8-19-12)15-11(14(17)18)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,16)(H,17,18)
InChIKeyFRQFNSRFSXTHII-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.71
Rot. Bonds5

About 2-(furan-2-carbonylamino)-3-phenylpropanoic acid

2-(furan-2-carbonylamino)-3-phenylpropanoic acid (PubChem CID 3131249) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-3-phenylpropanoic acid
PubChem CID3131249
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-(furan-2-carbonylamino)-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1ccco1
InChIInChI=1S/C14H13NO4/c16-13(12-7-4-8-19-12)15-11(14(17)18)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,16)(H,17,18)
InChIKeyFRQFNSRFSXTHII-UHFFFAOYSA-N
XLogP1.71
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(furan-2-carbonylamino)-3-phenylpropanoic acid (CID 3131249) is 2-(furan-2-carbonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)-3-phenylpropanoic acid is O=C(NC(Cc1ccccc1)C(=O)O)c1ccco1.
What is the InChIKey of 2-(furan-2-carbonylamino)-3-phenylpropanoic acid?
The InChIKey is FRQFNSRFSXTHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13(12-7-4-8-19-12)15-11(14(17)18)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,16)(H,17,18).
What are the key properties of 2-(furan-2-carbonylamino)-3-phenylpropanoic acid?
2-(furan-2-carbonylamino)-3-phenylpropanoic acid has a molecular weight of 259.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 3131249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).