2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid

C13H23NO5 — CID 151971487

IUPAC2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid
SMILESCC1(C)CC(CCOC(=O)C(=O)O)CC(C)(C)N1O
InChIInChI=1S/C13H23NO5/c1-12(2)7-9(8-13(3,4)14(12)18)5-6-19-11(17)10(15)16/h9,18H,5-8H2,1-4H3,(H,15,16)
InChIKeyUATICJBDIBQRLI-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.66
Rot. Bonds3

About 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid

2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid (PubChem CID 151971487) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid
PubChem CID151971487
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid
SMILESCC1(C)CC(CCOC(=O)C(=O)O)CC(C)(C)N1O
InChIInChI=1S/C13H23NO5/c1-12(2)7-9(8-13(3,4)14(12)18)5-6-19-11(17)10(15)16/h9,18H,5-8H2,1-4H3,(H,15,16)
InChIKeyUATICJBDIBQRLI-UHFFFAOYSA-N
XLogP1.66
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 66687478
4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid
CID 151524547
1-hydroxy-4-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methylperoxy]ethylperoxy]-2,2,6,6-tetramethylpiperidine
CID 22892218
tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] ethene-1,1,2,2-tetracarboxylate
CID 138724239
7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895397
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid
CID 69258526
2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]acetic acid
CID 54019631
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
CID 126739205
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate
CID 90284723

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid?
The IUPAC name of 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid (CID 151971487) is 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid is CC1(C)CC(CCOC(=O)C(=O)O)CC(C)(C)N1O.
What is the InChIKey of 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid?
The InChIKey is UATICJBDIBQRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-12(2)7-9(8-13(3,4)14(12)18)5-6-19-11(17)10(15)16/h9,18H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid?
2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid has a molecular weight of 273.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid is sourced from PubChem (CID 151971487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).