3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid

C12H23NO4 — CID 23533064

IUPAC3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
SMILESCC1(C)CC(OCCC(=O)O)CC(C)(C)N1O
InChIInChI=1S/C12H23NO4/c1-11(2)7-9(17-6-5-10(14)15)8-12(3,4)13(11)16/h9,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyYCAWLERHERWEMY-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.89
Rot. Bonds4

About 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid

3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid (PubChem CID 23533064) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid.

Molecular Properties

Compound Name3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
PubChem CID23533064
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
SMILESCC1(C)CC(OCCC(=O)O)CC(C)(C)N1O
InChIInChI=1S/C12H23NO4/c1-11(2)7-9(17-6-5-10(14)15)8-12(3,4)13(11)16/h9,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyYCAWLERHERWEMY-UHFFFAOYSA-N
XLogP1.89
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid?
The IUPAC name of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid (CID 23533064) is 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid.
What is the SMILES notation for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid?
The canonical SMILES for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid is CC1(C)CC(OCCC(=O)O)CC(C)(C)N1O.
What is the InChIKey of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid?
The InChIKey is YCAWLERHERWEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2)7-9(17-6-5-10(14)15)8-12(3,4)13(11)16/h9,16H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid?
3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid is sourced from PubChem (CID 23533064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).