methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate

C17H30N2O3 — CID 20556284

IUPACmethyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCC2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C17H30N2O3/c1-16(2)9-12(10-17(3,4)18-16)6-7-19-11-13(8-14(19)20)15(21)22-5/h12-13,18H,6-11H2,1-5H3
InChIKeyRBDRCCLCCKUIMK-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.95
Rot. Bonds4

About methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate

methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate (PubChem CID 20556284) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate
PubChem CID20556284
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Namemethyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCC2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C17H30N2O3/c1-16(2)9-12(10-17(3,4)18-16)6-7-19-11-13(8-14(19)20)15(21)22-5/h12-13,18H,6-11H2,1-5H3
InChIKeyRBDRCCLCCKUIMK-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate (CID 20556284) is methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(CCC2CC(C)(C)NC(C)(C)C2)C1.
What is the InChIKey of methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate?
The InChIKey is RBDRCCLCCKUIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-16(2)9-12(10-17(3,4)18-16)6-7-19-11-13(8-14(19)20)15(21)22-5/h12-13,18H,6-11H2,1-5H3.
What are the key properties of methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate?
methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 20556284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).