methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate

C17H30N2O4 — CID 20556289

IUPACmethyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CC(C)(C)N(CCO)C(C)(C)C2)C1
InChIInChI=1S/C17H30N2O4/c1-16(2)9-13(10-17(3,4)19(16)6-7-20)18-11-12(8-14(18)21)15(22)23-5/h12-13,20H,6-11H2,1-5H3
InChIKeyJAOXEVBMJNBVNN-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.02
Rot. Bonds4

About methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate

methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 20556289) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate
PubChem CID20556289
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Namemethyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CC(C)(C)N(CCO)C(C)(C)C2)C1
InChIInChI=1S/C17H30N2O4/c1-16(2)9-13(10-17(3,4)19(16)6-7-20)18-11-12(8-14(18)21)15(22)23-5/h12-13,20H,6-11H2,1-5H3
InChIKeyJAOXEVBMJNBVNN-UHFFFAOYSA-N
XLogP1.02
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

5-Oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 20556287
Methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate
CID 20556288
Methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 20556296
1-(1-Acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one
CID 138750826
1-[1-(Ethoxycarbonyl)piperidin-4-YL]-5-oxopyrrolidine-3-carboxylic acid
CID 24704485
1-[1-(4-Ethoxy-4-oxobutanoyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 108494680
1-[1-(2-Methylpropoxycarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 108495137
1-(1-Methoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 108495461
1-(1-Butoxycarbonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 108495623
2-[4-[1-(4-Methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholin-3-yl]acetic acid
CID 121772094
1-[1-(5-Methylhexyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 154789101
1-[1-(3-Methoxypropyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690821

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate (CID 20556289) is methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(C2CC(C)(C)N(CCO)C(C)(C)C2)C1.
What is the InChIKey of methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is JAOXEVBMJNBVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-16(2)9-13(10-17(3,4)19(16)6-7-20)18-11-12(8-14(18)21)15(22)23-5/h12-13,20H,6-11H2,1-5H3.
What are the key properties of methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate?
methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 20556289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).