methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate

C13H20N2O4 — CID 2238244

IUPACmethyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCCN1C(=O)C[C@H](N2CCC(C(=O)OC)CC2)C1=O
InChIInChI=1S/C13H20N2O4/c1-3-15-11(16)8-10(12(15)17)14-6-4-9(5-7-14)13(18)19-2/h9-10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyWPLBCJSZGABFJR-JTQLQIEISA-N
MW268.31 g/mol
LogP0.02
Rot. Bonds3

About methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate

methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (PubChem CID 2238244) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
PubChem CID2238244
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCCN1C(=O)C[C@H](N2CCC(C(=O)OC)CC2)C1=O
InChIInChI=1S/C13H20N2O4/c1-3-15-11(16)8-10(12(15)17)14-6-4-9(5-7-14)13(18)19-2/h9-10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyWPLBCJSZGABFJR-JTQLQIEISA-N
XLogP0.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Methyl 1-(1-ethyl-2,5-dioxo-3-pyrrolidinyl)-4-piperidinecarboxylate
CID 2982548
(3S)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 813313
(3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 813315
Ethyl 1-[2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetyl]piperidine-4-carboxylate
CID 56393225
1-Methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 3106524
methyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylate
CID 94014523
Ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 108504195
methyl 1-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate
CID 2238241
methyl 1-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 2238242
methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate
CID 2238243
ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9352394
ethyl 1-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9352395

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (CID 2238244) is methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is CCN1C(=O)C[C@H](N2CCC(C(=O)OC)CC2)C1=O.
What is the InChIKey of methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The InChIKey is WPLBCJSZGABFJR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-15-11(16)8-10(12(15)17)14-6-4-9(5-7-14)13(18)19-2/h9-10H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 2238244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).