4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid

C13H14FNO4 — CID 66223979

IUPAC4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid
SMILESCc1ccc(F)cc1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H14FNO4/c1-7-2-3-8(14)4-9(7)12(16)15-11-6-19-5-10(11)13(17)18/h2-4,10-11H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyQTXKPUKHZVZYIM-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.96
Rot. Bonds3

About 4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid

4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66223979) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID66223979
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid
SMILESCc1ccc(F)cc1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H14FNO4/c1-7-2-3-8(14)4-9(7)12(16)15-11-6-19-5-10(11)13(17)18/h2-4,10-11H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyQTXKPUKHZVZYIM-UHFFFAOYSA-N
XLogP0.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid (CID 66223979) is 4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid is Cc1ccc(F)cc1C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is QTXKPUKHZVZYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-7-2-3-8(14)4-9(7)12(16)15-11-6-19-5-10(11)13(17)18/h2-4,10-11H,5-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid?
4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylbenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66223979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).