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

C13H20N2O4 — CID 2238242

IUPACmethyl 1-[(3R)-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-/m1/s1
InChIKeyWPLBCJSZGABFJR-SNVBAGLBSA-N
MW268.31 g/mol
LogP0.02
Rot. Bonds3

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

methyl 1-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (PubChem CID 2238242) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 1-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
PubChem CID2238242
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 1-[(3R)-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-/m1/s1
InChIKeyWPLBCJSZGABFJR-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (CID 2238242) is methyl 1-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(3R)-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-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The InChIKey is WPLBCJSZGABFJR-SNVBAGLBSA-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-/m1/s1.
What are the key properties of methyl 1-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
methyl 1-[(3R)-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-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 2238242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).