5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid

C14H13NO5 — CID 976896

IUPAC5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid
SMILESCOc1ccc(C(=O)NCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C14H13NO5/c1-19-10-4-2-9(3-5-10)13(16)15-8-11-6-7-12(20-11)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyANKTXHMWFXMPCS-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.92
Rot. Bonds5

About 5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid

5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 976896) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid
PubChem CID976896
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid
SMILESCOc1ccc(C(=O)NCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C14H13NO5/c1-19-10-4-2-9(3-5-10)13(16)15-8-11-6-7-12(20-11)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyANKTXHMWFXMPCS-UHFFFAOYSA-N
XLogP1.92
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid (CID 976896) is 5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid is COc1ccc(C(=O)NCc2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is ANKTXHMWFXMPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-19-10-4-2-9(3-5-10)13(16)15-8-11-6-7-12(20-11)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid?
5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 976896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).