5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid

C12H17NO4 — CID 104607143

IUPAC5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid
SMILESCCN(CC(C)C)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C12H17NO4/c1-4-13(6-8(2)3)11(14)10-5-9(7-17-10)12(15)16/h5,7-8H,4,6H2,1-3H3,(H,15,16)
InChIKeyNNPVWWRTNPJCEB-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.10
Rot. Bonds5

About 5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid

5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607143) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607143
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid
SMILESCCN(CC(C)C)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C12H17NO4/c1-4-13(6-8(2)3)11(14)10-5-9(7-17-10)12(15)16/h5,7-8H,4,6H2,1-3H3,(H,15,16)
InChIKeyNNPVWWRTNPJCEB-UHFFFAOYSA-N
XLogP2.10
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[ethyl(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
CID 104607286
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
5-(4-methylpentylcarbamoyl)furan-3-carboxylic acid
CID 104607558
5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
CID 113432257
5-[ethyl-(4-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607465
5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid
CID 104607855
5-acetylfuran-3-carboxylic acid
CID 10654434
5-[3-(2-methylpropylsulfanyl)propylcarbamoyl]furan-3-carboxylic acid
CID 120551654
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-(2-methylpropyl)furan-3-carboxylic acid
CID 127020960
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid (CID 104607143) is 5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid is CCN(CC(C)C)C(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is NNPVWWRTNPJCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-13(6-8(2)3)11(14)10-5-9(7-17-10)12(15)16/h5,7-8H,4,6H2,1-3H3,(H,15,16).
What are the key properties of 5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid?
5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).