5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid

C10H12N2O5 — CID 104607173

IUPAC5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
SMILESCC(=O)NCCNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C10H12N2O5/c1-6(13)11-2-3-12-9(14)8-4-7(5-17-8)10(15)16/h4-5H,2-3H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyKOLBCVMLIGMPTE-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.16
Rot. Bonds5

About 5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid

5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid (PubChem CID 104607173) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
PubChem CID104607173
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
SMILESCC(=O)NCCNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C10H12N2O5/c1-6(13)11-2-3-12-9(14)8-4-7(5-17-8)10(15)16/h4-5H,2-3H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyKOLBCVMLIGMPTE-UHFFFAOYSA-N
XLogP-0.16
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid (CID 104607173) is 5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid is CC(=O)NCCNC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is KOLBCVMLIGMPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-6(13)11-2-3-12-9(14)8-4-7(5-17-8)10(15)16/h4-5H,2-3H2,1H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid?
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).