3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid

C12H23NO3 — CID 67448789

IUPAC3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
SMILESCC1(C)CC(OCCC(=O)O)CC(C)(C)N1
InChIInChI=1S/C12H23NO3/c1-11(2)7-9(8-12(3,4)13-11)16-6-5-10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyZUQHBYFFDBWSSR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.79
Rot. Bonds4

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

3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid (PubChem CID 67448789) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid.

Molecular Properties

Compound Name3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
PubChem CID67448789
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
SMILESCC1(C)CC(OCCC(=O)O)CC(C)(C)N1
InChIInChI=1S/C12H23NO3/c1-11(2)7-9(8-12(3,4)13-11)16-6-5-10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyZUQHBYFFDBWSSR-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid?
The IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid (CID 67448789) is 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid.
What is the SMILES notation for 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid?
The canonical SMILES for 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid is CC1(C)CC(OCCC(=O)O)CC(C)(C)N1.
What is the InChIKey of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid?
The InChIKey is ZUQHBYFFDBWSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2)7-9(8-12(3,4)13-11)16-6-5-10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid?
3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid is sourced from PubChem (CID 67448789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).