5-(3-oxononanoylamino)furan-2-carboxylic acid

C14H19NO5 — CID 23032339

IUPAC5-(3-oxononanoylamino)furan-2-carboxylic acid
SMILESCCCCCCC(=O)CC(=O)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C14H19NO5/c1-2-3-4-5-6-10(16)9-12(17)15-13-8-7-11(20-13)14(18)19/h7-8H,2-6,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyIABJSXXAZGTCRM-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.85
Rot. Bonds9

About 5-(3-oxononanoylamino)furan-2-carboxylic acid

5-(3-oxononanoylamino)furan-2-carboxylic acid (PubChem CID 23032339) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(3-oxononanoylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-oxononanoylamino)furan-2-carboxylic acid
PubChem CID23032339
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name5-(3-oxononanoylamino)furan-2-carboxylic acid
SMILESCCCCCCC(=O)CC(=O)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C14H19NO5/c1-2-3-4-5-6-10(16)9-12(17)15-13-8-7-11(20-13)14(18)19/h7-8H,2-6,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyIABJSXXAZGTCRM-UHFFFAOYSA-N
XLogP2.85
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-oxononanoylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(3-oxononanoylamino)furan-2-carboxylic acid (CID 23032339) is 5-(3-oxononanoylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-oxononanoylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-oxononanoylamino)furan-2-carboxylic acid is CCCCCCC(=O)CC(=O)Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(3-oxononanoylamino)furan-2-carboxylic acid?
The InChIKey is IABJSXXAZGTCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-2-3-4-5-6-10(16)9-12(17)15-13-8-7-11(20-13)14(18)19/h7-8H,2-6,9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-(3-oxononanoylamino)furan-2-carboxylic acid?
5-(3-oxononanoylamino)furan-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxononanoylamino)furan-2-carboxylic acid is sourced from PubChem (CID 23032339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).