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

C13H15NO3 — CID 23245353

IUPAC2-(2-oxopiperidin-1-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C13H15NO3/c15-11-8-4-5-9-14(11)12(13(16)17)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2,(H,16,17)
InChIKeyCQHQRANYGPPLRE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.82
Rot. Bonds3

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

2-(2-oxopiperidin-1-yl)-2-phenylacetic acid (PubChem CID 23245353) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-2-phenylacetic acid
PubChem CID23245353
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(2-oxopiperidin-1-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C13H15NO3/c15-11-8-4-5-9-14(11)12(13(16)17)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2,(H,16,17)
InChIKeyCQHQRANYGPPLRE-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.82
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)-2-phenylacetic acid?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-2-phenylacetic acid (CID 23245353) is 2-(2-oxopiperidin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-2-phenylacetic acid?
The InChIKey is CQHQRANYGPPLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-11-8-4-5-9-14(11)12(13(16)17)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2,(H,16,17).
What are the key properties of 2-(2-oxopiperidin-1-yl)-2-phenylacetic acid?
2-(2-oxopiperidin-1-yl)-2-phenylacetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.82, 3 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)-2-phenylacetic acid is sourced from PubChem (CID 23245353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).