4-(5-oxopyrrolidin-2-yl)benzoic acid

C11H11NO3 — CID 126804612

IUPAC4-(5-oxopyrrolidin-2-yl)benzoic acid
SMILESO=C1CCC(c2ccc(C(=O)O)cc2)N1
InChIInChI=1S/C11H11NO3/c13-10-6-5-9(12-10)7-1-3-8(4-2-7)11(14)15/h1-4,9H,5-6H2,(H,12,13)(H,14,15)
InChIKeyLAFPNIUVRIVWTD-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.34
Rot. Bonds2

About 4-(5-oxopyrrolidin-2-yl)benzoic acid

4-(5-oxopyrrolidin-2-yl)benzoic acid (PubChem CID 126804612) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-(5-oxopyrrolidin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-oxopyrrolidin-2-yl)benzoic acid
PubChem CID126804612
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-(5-oxopyrrolidin-2-yl)benzoic acid
SMILESO=C1CCC(c2ccc(C(=O)O)cc2)N1
InChIInChI=1S/C11H11NO3/c13-10-6-5-9(12-10)7-1-3-8(4-2-7)11(14)15/h1-4,9H,5-6H2,(H,12,13)(H,14,15)
InChIKeyLAFPNIUVRIVWTD-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-oxopyrrolidin-2-yl)benzoic acid?
The IUPAC name of 4-(5-oxopyrrolidin-2-yl)benzoic acid (CID 126804612) is 4-(5-oxopyrrolidin-2-yl)benzoic acid.
What is the SMILES notation for 4-(5-oxopyrrolidin-2-yl)benzoic acid?
The canonical SMILES for 4-(5-oxopyrrolidin-2-yl)benzoic acid is O=C1CCC(c2ccc(C(=O)O)cc2)N1.
What is the InChIKey of 4-(5-oxopyrrolidin-2-yl)benzoic acid?
The InChIKey is LAFPNIUVRIVWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-6-5-9(12-10)7-1-3-8(4-2-7)11(14)15/h1-4,9H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 4-(5-oxopyrrolidin-2-yl)benzoic acid?
4-(5-oxopyrrolidin-2-yl)benzoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxopyrrolidin-2-yl)benzoic acid is sourced from PubChem (CID 126804612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).