2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid

C13H15NO4 — CID 63746544

IUPAC2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1N1CCCCC1=O
InChIInChI=1S/C13H15NO4/c15-12-7-3-4-8-14(12)10-5-1-2-6-11(10)18-9-13(16)17/h1-2,5-6H,3-4,7-9H2,(H,16,17)
InChIKeyBZASMUUYNXUARN-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.67
Rot. Bonds4

About 2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid

2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid (PubChem CID 63746544) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid
PubChem CID63746544
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1N1CCCCC1=O
InChIInChI=1S/C13H15NO4/c15-12-7-3-4-8-14(12)10-5-1-2-6-11(10)18-9-13(16)17/h1-2,5-6H,3-4,7-9H2,(H,16,17)
InChIKeyBZASMUUYNXUARN-UHFFFAOYSA-N
XLogP1.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,7-dioxoazepan-1-yl)phenoxy]acetic acid
CID 63746035
2-[2-(azepan-1-yl)phenoxy]acetic acid
CID 79694156
1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one
CID 88724658
3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
CID 107273661
1-[2-(hydroxymethyl)phenyl]piperidin-2-one
CID 100933154
2-(2-formylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41201936
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate
CID 70005902
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenoxy]acetic acid
CID 63745847
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-ethylphenoxy)acetate
CID 55468169

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid (CID 63746544) is 2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid is O=C(O)COc1ccccc1N1CCCCC1=O.
What is the InChIKey of 2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid?
The InChIKey is BZASMUUYNXUARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12-7-3-4-8-14(12)10-5-1-2-6-11(10)18-9-13(16)17/h1-2,5-6H,3-4,7-9H2,(H,16,17).
What are the key properties of 2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid?
2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid is sourced from PubChem (CID 63746544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).