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

C11H11NO3 — CID 773130

IUPAC4-(2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C11H11NO3/c13-10-2-1-7-12(10)9-5-3-8(4-6-9)11(14)15/h3-6H,1-2,7H2,(H,14,15)
InChIKeyYDKWTEYRNMUJKC-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.51
Rot. Bonds2

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

4-(2-oxopyrrolidin-1-yl)benzoic acid (PubChem CID 773130) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)benzoic acid
PubChem CID773130
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-(2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C11H11NO3/c13-10-2-1-7-12(10)9-5-3-8(4-6-9)11(14)15/h3-6H,1-2,7H2,(H,14,15)
InChIKeyYDKWTEYRNMUJKC-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 4-(2-oxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)benzoic acid (CID 773130) is 4-(2-oxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)benzoic acid is O=C(O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)benzoic acid?
The InChIKey is YDKWTEYRNMUJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-2-1-7-12(10)9-5-3-8(4-6-9)11(14)15/h3-6H,1-2,7H2,(H,14,15).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)benzoic acid?
4-(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 4-(2-oxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 773130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).