ethyl 2-anilino-4-hydroxyfuran-3-carboxylate

C13H13NO4 — CID 54018213

IUPACethyl 2-anilino-4-hydroxyfuran-3-carboxylate
SMILESCCOC(=O)c1c(O)coc1Nc1ccccc1
InChIInChI=1S/C13H13NO4/c1-2-17-13(16)11-10(15)8-18-12(11)14-9-6-4-3-5-7-9/h3-8,14-15H,2H2,1H3
InChIKeyKXBRJFZINQELTI-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.91
Rot. Bonds4

About ethyl 2-anilino-4-hydroxyfuran-3-carboxylate

ethyl 2-anilino-4-hydroxyfuran-3-carboxylate (PubChem CID 54018213) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 2-anilino-4-hydroxyfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilino-4-hydroxyfuran-3-carboxylate
PubChem CID54018213
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Nameethyl 2-anilino-4-hydroxyfuran-3-carboxylate
SMILESCCOC(=O)c1c(O)coc1Nc1ccccc1
InChIInChI=1S/C13H13NO4/c1-2-17-13(16)11-10(15)8-18-12(11)14-9-6-4-3-5-7-9/h3-8,14-15H,2H2,1H3
InChIKeyKXBRJFZINQELTI-UHFFFAOYSA-N
XLogP2.91
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-4-hydroxyfuran-3-carboxylate?
The IUPAC name of ethyl 2-anilino-4-hydroxyfuran-3-carboxylate (CID 54018213) is ethyl 2-anilino-4-hydroxyfuran-3-carboxylate.
What is the SMILES notation for ethyl 2-anilino-4-hydroxyfuran-3-carboxylate?
The canonical SMILES for ethyl 2-anilino-4-hydroxyfuran-3-carboxylate is CCOC(=O)c1c(O)coc1Nc1ccccc1.
What is the InChIKey of ethyl 2-anilino-4-hydroxyfuran-3-carboxylate?
The InChIKey is KXBRJFZINQELTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-2-17-13(16)11-10(15)8-18-12(11)14-9-6-4-3-5-7-9/h3-8,14-15H,2H2,1H3.
What are the key properties of ethyl 2-anilino-4-hydroxyfuran-3-carboxylate?
ethyl 2-anilino-4-hydroxyfuran-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-4-hydroxyfuran-3-carboxylate is sourced from PubChem (CID 54018213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).