4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid

C12H12FNO4 — CID 66222447

IUPAC4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccccc1F
InChIInChI=1S/C12H12FNO4/c13-9-4-2-1-3-7(9)11(15)14-10-6-18-5-8(10)12(16)17/h1-4,8,10H,5-6H2,(H,14,15)(H,16,17)
InChIKeyQWHXCCGPXQKGEX-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.66
Rot. Bonds3

About 4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid

4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66222447) has the molecular formula C12H12FNO4 and a molecular weight of 253.23 g/mol. Its IUPAC name is 4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID66222447
Molecular FormulaC12H12FNO4
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccccc1F
InChIInChI=1S/C12H12FNO4/c13-9-4-2-1-3-7(9)11(15)14-10-6-18-5-8(10)12(16)17/h1-4,8,10H,5-6H2,(H,14,15)(H,16,17)
InChIKeyQWHXCCGPXQKGEX-UHFFFAOYSA-N
XLogP0.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid (CID 66222447) is 4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1ccccc1F.
What is the InChIKey of 4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is QWHXCCGPXQKGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4/c13-9-4-2-1-3-7(9)11(15)14-10-6-18-5-8(10)12(16)17/h1-4,8,10H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).