3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid

C13H23NO3 — CID 57297758

IUPAC3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid
SMILESCC(=O)C(C(=O)O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H23NO3/c1-8(15)10(11(16)17)9-6-12(2,3)14-13(4,5)7-9/h9-10,14H,6-7H2,1-5H3,(H,16,17)
InChIKeyHBFFQZIJQSOFAT-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds3

About 3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid

3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid (PubChem CID 57297758) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid.

Molecular Properties

Compound Name3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid
PubChem CID57297758
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid
SMILESCC(=O)C(C(=O)O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H23NO3/c1-8(15)10(11(16)17)9-6-12(2,3)14-13(4,5)7-9/h9-10,14H,6-7H2,1-5H3,(H,16,17)
InChIKeyHBFFQZIJQSOFAT-UHFFFAOYSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid?
The IUPAC name of 3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid (CID 57297758) is 3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid.
What is the SMILES notation for 3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid?
The canonical SMILES for 3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid is CC(=O)C(C(=O)O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid?
The InChIKey is HBFFQZIJQSOFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8(15)10(11(16)17)9-6-12(2,3)14-13(4,5)7-9/h9-10,14H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid?
3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)butanoic acid is sourced from PubChem (CID 57297758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).