5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid

C11H14N2O5 — CID 113432244

IUPAC5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
SMILESCC(C)NC(=O)CNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C11H14N2O5/c1-6(2)13-9(14)4-12-10(15)8-3-7(5-18-8)11(16)17/h3,5-6H,4H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyKJLAJOODKDCHLK-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.23
Rot. Bonds5

About 5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid

5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 113432244) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
PubChem CID113432244
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
SMILESCC(C)NC(=O)CNC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C11H14N2O5/c1-6(2)13-9(14)4-12-10(15)8-3-7(5-18-8)11(16)17/h3,5-6H,4H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyKJLAJOODKDCHLK-UHFFFAOYSA-N
XLogP0.23
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid
CID 104607855
5-(4-methylpentylcarbamoyl)furan-3-carboxylic acid
CID 104607558
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 51257536
5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
CID 104623369
5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
CID 114117425
6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43429243
5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid
CID 120551585
5-acetylfuran-3-carboxylic acid
CID 10654434
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid
CID 43567862
5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid
CID 113432372

Frequently Asked Questions

What is the IUPAC name of 5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid (CID 113432244) is 5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid is CC(C)NC(=O)CNC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is KJLAJOODKDCHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-6(2)13-9(14)4-12-10(15)8-3-7(5-18-8)11(16)17/h3,5-6H,4H2,1-2H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid?
5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 113432244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).