5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid

C13H13NO4 — CID 114253168

IUPAC5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid
SMILESCOCc1ccc(Nc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C13H13NO4/c1-17-8-9-2-4-10(5-3-9)14-12-7-6-11(18-12)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyLTAJKFQUQXSRPU-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.87
Rot. Bonds5

About 5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid

5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid (PubChem CID 114253168) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid
PubChem CID114253168
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid
SMILESCOCc1ccc(Nc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C13H13NO4/c1-17-8-9-2-4-10(5-3-9)14-12-7-6-11(18-12)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyLTAJKFQUQXSRPU-UHFFFAOYSA-N
XLogP2.87
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid?
The IUPAC name of 5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid (CID 114253168) is 5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid is COCc1ccc(Nc2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid?
The InChIKey is LTAJKFQUQXSRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-8-9-2-4-10(5-3-9)14-12-7-6-11(18-12)13(15)16/h2-7,14H,8H2,1H3,(H,15,16).
What are the key properties of 5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid?
5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)anilino]furan-2-carboxylic acid is sourced from PubChem (CID 114253168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).