4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid

C15H27NO4 — CID 67533775

IUPAC4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid
SMILESCCN1C(C)(C)CC(OC(=O)CCC(=O)O)CC1(C)C
InChIInChI=1S/C15H27NO4/c1-6-16-14(2,3)9-11(10-15(16,4)5)20-13(19)8-7-12(17)18/h11H,6-10H2,1-5H3,(H,17,18)
InChIKeyGYDHPPOYRGPCMS-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.44
Rot. Bonds5

About 4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid

4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid (PubChem CID 67533775) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid
PubChem CID67533775
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid
SMILESCCN1C(C)(C)CC(OC(=O)CCC(=O)O)CC1(C)C
InChIInChI=1S/C15H27NO4/c1-6-16-14(2,3)9-11(10-15(16,4)5)20-13(19)8-7-12(17)18/h11H,6-10H2,1-5H3,(H,17,18)
InChIKeyGYDHPPOYRGPCMS-UHFFFAOYSA-N
XLogP2.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid 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-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid?
The IUPAC name of 4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid (CID 67533775) is 4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid.
What is the SMILES notation for 4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid?
The canonical SMILES for 4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid is CCN1C(C)(C)CC(OC(=O)CCC(=O)O)CC1(C)C.
What is the InChIKey of 4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid?
The InChIKey is GYDHPPOYRGPCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-6-16-14(2,3)9-11(10-15(16,4)5)20-13(19)8-7-12(17)18/h11H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid?
4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid is sourced from PubChem (CID 67533775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).