4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl

C10H17NO3- — CID 71297228

IUPAC—
SMILESCC1(C)CC(C(=O)[O-])CC(C)(C)N1[O]
InChIInChI=1S/C10H18NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h7H,5-6H2,1-4H3,(H,12,13)/p-1
InChIKeyCYQGCJQJIOARKD-UHFFFAOYSA-M
MW199.25 g/mol
LogP0.35
Rot. Bonds1

About 4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl

4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl (PubChem CID 71297228) has the molecular formula C10H17NO3- and a molecular weight of 199.25 g/mol.

Molecular Properties

Compound Name4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl
PubChem CID71297228
Molecular FormulaC10H17NO3-
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name—
SMILESCC1(C)CC(C(=O)[O-])CC(C)(C)N1[O]
InChIInChI=1S/C10H18NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h7H,5-6H2,1-4H3,(H,12,13)/p-1
InChIKeyCYQGCJQJIOARKD-UHFFFAOYSA-M
XLogP0.35
TPSA63.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl?
The IUPAC name of 4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl (CID 71297228) is not available.
What is the SMILES notation for 4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl?
The canonical SMILES for 4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl is CC1(C)CC(C(=O)[O-])CC(C)(C)N1[O].
What is the InChIKey of 4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl?
The InChIKey is CYQGCJQJIOARKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h7H,5-6H2,1-4H3,(H,12,13)/p-1.
What are the key properties of 4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl?
4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl has a molecular weight of 199.25 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl is sourced from PubChem (CID 71297228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).