2-(2-oxopiperidin-1-yl)benzoic acid

C12H13NO3 — CID 11665705

IUPAC2-(2-oxopiperidin-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1CCCCC1=O
InChIInChI=1S/C12H13NO3/c14-11-7-3-4-8-13(11)10-6-2-1-5-9(10)12(15)16/h1-2,5-6H,3-4,7-8H2,(H,15,16)
InChIKeyJSLGWWWSTMZEOU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.90
Rot. Bonds2

About 2-(2-oxopiperidin-1-yl)benzoic acid

2-(2-oxopiperidin-1-yl)benzoic acid (PubChem CID 11665705) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)benzoic acid
PubChem CID11665705
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(2-oxopiperidin-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1CCCCC1=O
InChIInChI=1S/C12H13NO3/c14-11-7-3-4-8-13(11)10-6-2-1-5-9(10)12(15)16/h1-2,5-6H,3-4,7-8H2,(H,15,16)
InChIKeyJSLGWWWSTMZEOU-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)benzoic acid?
The IUPAC name of 2-(2-oxopiperidin-1-yl)benzoic acid (CID 11665705) is 2-(2-oxopiperidin-1-yl)benzoic acid.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)benzoic acid?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)benzoic acid is O=C(O)c1ccccc1N1CCCCC1=O.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)benzoic acid?
The InChIKey is JSLGWWWSTMZEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11-7-3-4-8-13(11)10-6-2-1-5-9(10)12(15)16/h1-2,5-6H,3-4,7-8H2,(H,15,16).
What are the key properties of 2-(2-oxopiperidin-1-yl)benzoic acid?
2-(2-oxopiperidin-1-yl)benzoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)benzoic acid is sourced from PubChem (CID 11665705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).