4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid

C24H45NO5 — CID 155213134

IUPAC4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
SMILESCCCCCCCCCCCON1C(C)(C)CC(OC(=O)CCC(=O)O)CC1(C)C
InChIInChI=1S/C24H45NO5/c1-6-7-8-9-10-11-12-13-14-17-29-25-23(2,3)18-20(19-24(25,4)5)30-22(28)16-15-21(26)27/h20H,6-19H2,1-5H3,(H,26,27)
InChIKeyZLRLMIUWINVTRG-UHFFFAOYSA-N
MW427.63 g/mol
LogP5.88
Rot. Bonds15

About 4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid

4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid (PubChem CID 155213134) has the molecular formula C24H45NO5 and a molecular weight of 427.63 g/mol. Its IUPAC name is 4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
PubChem CID155213134
Molecular FormulaC24H45NO5
Molecular Weight427.63 g/mol
Exact Mass427.33
IUPAC Name4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
SMILESCCCCCCCCCCCON1C(C)(C)CC(OC(=O)CCC(=O)O)CC1(C)C
InChIInChI=1S/C24H45NO5/c1-6-7-8-9-10-11-12-13-14-17-29-25-23(2,3)18-20(19-24(25,4)5)30-22(28)16-15-21(26)27/h20H,6-19H2,1-5H3,(H,26,27)
InChIKeyZLRLMIUWINVTRG-UHFFFAOYSA-N
XLogP5.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane
CID 159751289
10-O-(2,2,6,6-tetramethyl-1-octa-1,3,5,7-tetraynoxypiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
CID 22969584
4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid
CID 67533775
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
bis(2,2,6,6-tetrakis-decyl-1-octoxypiperidin-4-yl) decanedioate
CID 150064003
(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate
CID 59518528
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
CID 67968303
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) benzene-1,2-dicarboxylate
CID 151973385

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid?
The IUPAC name of 4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid (CID 155213134) is 4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid.
What is the SMILES notation for 4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid?
The canonical SMILES for 4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid is CCCCCCCCCCCON1C(C)(C)CC(OC(=O)CCC(=O)O)CC1(C)C.
What is the InChIKey of 4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid?
The InChIKey is ZLRLMIUWINVTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO5/c1-6-7-8-9-10-11-12-13-14-17-29-25-23(2,3)18-20(19-24(25,4)5)30-22(28)16-15-21(26)27/h20H,6-19H2,1-5H3,(H,26,27).
What are the key properties of 4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid?
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid has a molecular weight of 427.63 g/mol, XLogP of 5.88, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid is sourced from PubChem (CID 155213134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).