5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid

C13H13NO5 — CID 844970

IUPAC5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCc1cc(C(=O)NCc2ccc(C(=O)O)o2)c(C)o1
InChIInChI=1S/C13H13NO5/c1-7-5-10(8(2)18-7)12(15)14-6-9-3-4-11(19-9)13(16)17/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMVVWJWOQKNJJFW-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.12
Rot. Bonds4

About 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 844970) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID844970
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCc1cc(C(=O)NCc2ccc(C(=O)O)o2)c(C)o1
InChIInChI=1S/C13H13NO5/c1-7-5-10(8(2)18-7)12(15)14-6-9-3-4-11(19-9)13(16)17/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMVVWJWOQKNJJFW-UHFFFAOYSA-N
XLogP2.12
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 844970) is 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid is Cc1cc(C(=O)NCc2ccc(C(=O)O)o2)c(C)o1.
What is the InChIKey of 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is MVVWJWOQKNJJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-7-5-10(8(2)18-7)12(15)14-6-9-3-4-11(19-9)13(16)17/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 844970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).