5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

C11H11FN2O4 — CID 114254022

IUPAC5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cncc(F)c2)O1
InChIInChI=1S/C11H11FN2O4/c12-6-3-7(5-13-4-6)14-10(15)8-1-2-9(18-8)11(16)17/h3-5,8-9H,1-2H2,(H,14,15)(H,16,17)
InChIKeyRDASTPQAPNSISJ-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.79
Rot. Bonds3

About 5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 114254022) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID114254022
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cncc(F)c2)O1
InChIInChI=1S/C11H11FN2O4/c12-6-3-7(5-13-4-6)14-10(15)8-1-2-9(18-8)11(16)17/h3-5,8-9H,1-2H2,(H,14,15)(H,16,17)
InChIKeyRDASTPQAPNSISJ-UHFFFAOYSA-N
XLogP0.79
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (CID 114254022) is 5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cncc(F)c2)O1.
What is the InChIKey of 5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is RDASTPQAPNSISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c12-6-3-7(5-13-4-6)14-10(15)8-1-2-9(18-8)11(16)17/h3-5,8-9H,1-2H2,(H,14,15)(H,16,17).
What are the key properties of 5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 254.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 114254022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).