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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
CID 47903591
2-(1-ethoxypropan-2-ylcarbamoyl)-3,6-dimethylbenzoic acid
CID 103429008
5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
CID 113432244
N-(1-ethoxypropan-2-yl)-4-iodobenzamide
CID 47903616
3-bromo-N-(1-ethoxypropan-2-yl)-5-methylbenzamide
CID 104852582
5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 104607621
5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607291
5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
CID 47901542
2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325257
5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid
CID 113432279
4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide
CID 81448376

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).