3-(2-oxopyrrolidin-1-yl)benzoic acid

C11H11NO3 — CID 3240794

IUPAC3-(2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C11H11NO3/c13-10-5-2-6-12(10)9-4-1-3-8(7-9)11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)
InChIKeyQESXXFDZRITHKE-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.51
Rot. Bonds2

About 3-(2-oxopyrrolidin-1-yl)benzoic acid

3-(2-oxopyrrolidin-1-yl)benzoic acid (PubChem CID 3240794) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)benzoic acid
PubChem CID3240794
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C11H11NO3/c13-10-5-2-6-12(10)9-4-1-3-8(7-9)11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)
InChIKeyQESXXFDZRITHKE-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)benzoic acid (CID 3240794) is 3-(2-oxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)benzoic acid is O=C(O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)benzoic acid?
The InChIKey is QESXXFDZRITHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-5-2-6-12(10)9-4-1-3-8(7-9)11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)benzoic acid?
3-(2-oxopyrrolidin-1-yl)benzoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 3240794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).