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

C11H11NO4 — CID 168703419

IUPAC4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CC(O)CC2=O)cc1
InChIInChI=1S/C11H11NO4/c13-9-5-10(14)12(6-9)8-3-1-7(2-4-8)11(15)16/h1-4,9,13H,5-6H2,(H,15,16)
InChIKeyURIMHMZUGCNRIU-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.48
Rot. Bonds2

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

4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid (PubChem CID 168703419) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
PubChem CID168703419
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CC(O)CC2=O)cc1
InChIInChI=1S/C11H11NO4/c13-9-5-10(14)12(6-9)8-3-1-7(2-4-8)11(15)16/h1-4,9,13H,5-6H2,(H,15,16)
InChIKeyURIMHMZUGCNRIU-UHFFFAOYSA-N
XLogP0.48
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.48
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
4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
CID 168702108
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 2983118
(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
CID 71252641
4-hydroxy-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168702249
2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168703795
3-amino-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702448
3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703238
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
CID 43971395
4-(3,4-dihydroxypyrrolidin-1-yl)benzoic acid
CID 106669870

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid (CID 168703419) is 4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid is O=C(O)c1ccc(N2CC(O)CC2=O)cc1.
What is the InChIKey of 4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The InChIKey is URIMHMZUGCNRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-9-5-10(14)12(6-9)8-3-1-7(2-4-8)11(15)16/h1-4,9,13H,5-6H2,(H,15,16).
What are the key properties of 4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid has a molecular weight of 221.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 168703419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).