5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid

C12H11NO5 — CID 104607308

IUPAC5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCCc2ccco2)c1
InChIInChI=1S/C12H11NO5/c14-11(10-6-8(7-18-10)12(15)16)13-4-3-9-2-1-5-17-9/h1-2,5-7H,3-4H2,(H,13,14)(H,15,16)
InChIKeyVUEPBNRYESSZQW-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.54
Rot. Bonds5

About 5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid

5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 104607308) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
PubChem CID104607308
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCCc2ccco2)c1
InChIInChI=1S/C12H11NO5/c14-11(10-6-8(7-18-10)12(15)16)13-4-3-9-2-1-5-17-9/h1-2,5-7H,3-4H2,(H,13,14)(H,15,16)
InChIKeyVUEPBNRYESSZQW-UHFFFAOYSA-N
XLogP1.54
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
CID 104607208
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
3-[[2-(furan-2-yl)ethylamino]methyl]benzoic acid
CID 103242155
N-[2-(furan-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 113221314
N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18126076
3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 61139466
3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
2-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 55083762
N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 110745469
N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide
CID 71708375
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid (CID 104607308) is 5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)NCCc2ccco2)c1.
What is the InChIKey of 5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is VUEPBNRYESSZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c14-11(10-6-8(7-18-10)12(15)16)13-4-3-9-2-1-5-17-9/h1-2,5-7H,3-4H2,(H,13,14)(H,15,16).
What are the key properties of 5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).