5-carbamoylfuran-3-carboxylic acid

C6H5NO4 — CID 57439012

IUPAC5-carbamoylfuran-3-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C6H5NO4/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2H,(H2,7,8)(H,9,10)
InChIKeyDKKSYOPQJASJHW-UHFFFAOYSA-N
MW155.11 g/mol
LogP0.08
Rot. Bonds2

About 5-carbamoylfuran-3-carboxylic acid

5-carbamoylfuran-3-carboxylic acid (PubChem CID 57439012) has the molecular formula C6H5NO4 and a molecular weight of 155.11 g/mol. Its IUPAC name is 5-carbamoylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-carbamoylfuran-3-carboxylic acid
PubChem CID57439012
Molecular FormulaC6H5NO4
Molecular Weight155.11 g/mol
Exact Mass155.02
IUPAC Name5-carbamoylfuran-3-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C6H5NO4/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2H,(H2,7,8)(H,9,10)
InChIKeyDKKSYOPQJASJHW-UHFFFAOYSA-N
XLogP0.08
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoylfuran-3-carboxylic acid?
The IUPAC name of 5-carbamoylfuran-3-carboxylic acid (CID 57439012) is 5-carbamoylfuran-3-carboxylic acid.
What is the SMILES notation for 5-carbamoylfuran-3-carboxylic acid?
The canonical SMILES for 5-carbamoylfuran-3-carboxylic acid is NC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-carbamoylfuran-3-carboxylic acid?
The InChIKey is DKKSYOPQJASJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2H,(H2,7,8)(H,9,10).
What are the key properties of 5-carbamoylfuran-3-carboxylic acid?
5-carbamoylfuran-3-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoylfuran-3-carboxylic acid is sourced from PubChem (CID 57439012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).