3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

C11H10FNO3 — CID 83642665

IUPAC3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(c2cccc(F)c2)C(C(=O)O)N1
InChIInChI=1S/C11H10FNO3/c12-7-3-1-2-6(4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16)
InChIKeyZXEAUHDBHIWJKD-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.88
Rot. Bonds2

About 3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 83642665) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID83642665
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(c2cccc(F)c2)C(C(=O)O)N1
InChIInChI=1S/C11H10FNO3/c12-7-3-1-2-6(4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16)
InChIKeyZXEAUHDBHIWJKD-UHFFFAOYSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 83642665) is 3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is O=C1CC(c2cccc(F)c2)C(C(=O)O)N1.
What is the InChIKey of 3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is ZXEAUHDBHIWJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-7-3-1-2-6(4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16).
What are the key properties of 3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83642665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).