diethyl 2-methylpyrrolidine-2,4-dicarboxylate

C11H19NO4 — CID 141036690

IUPACdiethyl 2-methylpyrrolidine-2,4-dicarboxylate
SMILESCCOC(=O)C1CNC(C)(C(=O)OCC)C1
InChIInChI=1S/C11H19NO4/c1-4-15-9(13)8-6-11(3,12-7-8)10(14)16-5-2/h8,12H,4-7H2,1-3H3
InChIKeyYJVDHIAKHVUCJX-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.48
Rot. Bonds4

About diethyl 2-methylpyrrolidine-2,4-dicarboxylate

diethyl 2-methylpyrrolidine-2,4-dicarboxylate (PubChem CID 141036690) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is diethyl 2-methylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methylpyrrolidine-2,4-dicarboxylate
PubChem CID141036690
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namediethyl 2-methylpyrrolidine-2,4-dicarboxylate
SMILESCCOC(=O)C1CNC(C)(C(=O)OCC)C1
InChIInChI=1S/C11H19NO4/c1-4-15-9(13)8-6-11(3,12-7-8)10(14)16-5-2/h8,12H,4-7H2,1-3H3
InChIKeyYJVDHIAKHVUCJX-UHFFFAOYSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-methylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of diethyl 2-methylpyrrolidine-2,4-dicarboxylate (CID 141036690) is diethyl 2-methylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for diethyl 2-methylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for diethyl 2-methylpyrrolidine-2,4-dicarboxylate is CCOC(=O)C1CNC(C)(C(=O)OCC)C1.
What is the InChIKey of diethyl 2-methylpyrrolidine-2,4-dicarboxylate?
The InChIKey is YJVDHIAKHVUCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-15-9(13)8-6-11(3,12-7-8)10(14)16-5-2/h8,12H,4-7H2,1-3H3.
What are the key properties of diethyl 2-methylpyrrolidine-2,4-dicarboxylate?
diethyl 2-methylpyrrolidine-2,4-dicarboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 141036690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).