4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid

C11H10FNO4 — CID 168703309

IUPAC4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1N1CC(O)CC1=O
InChIInChI=1S/C11H10FNO4/c12-6-1-2-8(11(16)17)9(3-6)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5H2,(H,16,17)
InChIKeyYLJSCUPGJKDVRS-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.62
Rot. Bonds2

About 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid

4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid (PubChem CID 168703309) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
PubChem CID168703309
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1N1CC(O)CC1=O
InChIInChI=1S/C11H10FNO4/c12-6-1-2-8(11(16)17)9(3-6)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5H2,(H,16,17)
InChIKeyYLJSCUPGJKDVRS-UHFFFAOYSA-N
XLogP0.62
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid
CID 168703296
methyl 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702189
2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703274
4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid
CID 67177212
4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid
CID 28740437
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942
1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168702045
2-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoic acid
CID 175752209
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702437
3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703238
4-iodo-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoic acid
CID 168709837
3-amino-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702448

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid (CID 168703309) is 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid is O=C(O)c1ccc(F)cc1N1CC(O)CC1=O.
What is the InChIKey of 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The InChIKey is YLJSCUPGJKDVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c12-6-1-2-8(11(16)17)9(3-6)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5H2,(H,16,17).
What are the key properties of 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid has a molecular weight of 239.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 168703309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).