2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid

C15H15NO4 — CID 4739233

IUPAC2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid
SMILESCc1ccc(CCC(=O)Nc2ccccc2C(=O)O)o1
InChIInChI=1S/C15H15NO4/c1-10-6-7-11(20-10)8-9-14(17)16-13-5-3-2-4-12(13)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyGVXVYMOCAAWBNQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.86
Rot. Bonds5

About 2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid

2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid (PubChem CID 4739233) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid
PubChem CID4739233
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid
SMILESCc1ccc(CCC(=O)Nc2ccccc2C(=O)O)o1
InChIInChI=1S/C15H15NO4/c1-10-6-7-11(20-10)8-9-14(17)16-13-5-3-2-4-12(13)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyGVXVYMOCAAWBNQ-UHFFFAOYSA-N
XLogP2.86
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid?
The IUPAC name of 2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid (CID 4739233) is 2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid is Cc1ccc(CCC(=O)Nc2ccccc2C(=O)O)o1.
What is the InChIKey of 2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid?
The InChIKey is GVXVYMOCAAWBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-6-7-11(20-10)8-9-14(17)16-13-5-3-2-4-12(13)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid?
2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid is sourced from PubChem (CID 4739233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).