5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid

C11H15NO4 — CID 104607222

IUPAC5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
SMILESCC(C)(C)CNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C11H15NO4/c1-11(2,3)6-12-9(13)8-4-7(5-16-8)10(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyNIQBIMGGWLYGPS-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.75
Rot. Bonds3

About 5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid

5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid (PubChem CID 104607222) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
PubChem CID104607222
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
SMILESCC(C)(C)CNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C11H15NO4/c1-11(2,3)6-12-9(13)8-4-7(5-16-8)10(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyNIQBIMGGWLYGPS-UHFFFAOYSA-N
XLogP1.75
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
CID 113432244
5-(4-methylpentylcarbamoyl)furan-3-carboxylic acid
CID 104607558
5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid
CID 104607855
5-acetylfuran-3-carboxylic acid
CID 10654434
5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
CID 104623369
5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
CID 104607208
5-[(2-methylcyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 107420211
5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
CID 114117425
5-[3-(2-methylpropylsulfanyl)propylcarbamoyl]furan-3-carboxylic acid
CID 120551654
5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 120550524
5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607308

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid (CID 104607222) is 5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid is CC(C)(C)CNC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is NIQBIMGGWLYGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2,3)6-12-9(13)8-4-7(5-16-8)10(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid?
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).