5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 20556293

IUPAC5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)CC(N2CC(C(=O)O)CC2=O)CC(C)(C)N1
InChIInChI=1S/C14H24N2O3/c1-13(2)6-10(7-14(3,4)15-13)16-8-9(12(18)19)5-11(16)17/h9-10,15H,5-8H2,1-4H3,(H,18,19)
InChIKeyGEXDIZHDUDJASI-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds2

About 5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 20556293) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID20556293
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)CC(N2CC(C(=O)O)CC2=O)CC(C)(C)N1
InChIInChI=1S/C14H24N2O3/c1-13(2)6-10(7-14(3,4)15-13)16-8-9(12(18)19)5-11(16)17/h9-10,15H,5-8H2,1-4H3,(H,18,19)
InChIKeyGEXDIZHDUDJASI-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid (CID 20556293) is 5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid is CC1(C)CC(N2CC(C(=O)O)CC2=O)CC(C)(C)N1.
What is the InChIKey of 5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is GEXDIZHDUDJASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2)6-10(7-14(3,4)15-13)16-8-9(12(18)19)5-11(16)17/h9-10,15H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 20556293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).