5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid

C11H15NO5 — CID 104607428

IUPAC5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid
SMILESCCOCC(C)NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C11H15NO5/c1-3-16-5-7(2)12-10(13)9-4-8(6-17-9)11(14)15/h4,6-7H,3,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYICWIMWIJQHGIS-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.13
Rot. Bonds6

About 5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid

5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid (PubChem CID 104607428) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid
PubChem CID104607428
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid
SMILESCCOCC(C)NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C11H15NO5/c1-3-16-5-7(2)12-10(13)9-4-8(6-17-9)11(14)15/h4,6-7H,3,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYICWIMWIJQHGIS-UHFFFAOYSA-N
XLogP1.13
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid (CID 104607428) is 5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid is CCOCC(C)NC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is YICWIMWIJQHGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-3-16-5-7(2)12-10(13)9-4-8(6-17-9)11(14)15/h4,6-7H,3,5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid?
5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).