2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate

C13H25NO4 — CID 106978134

IUPAC2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate
SMILESCCCC1(C(=O)OCCOCCOC)CCCN1
InChIInChI=1S/C13H25NO4/c1-3-5-13(6-4-7-14-13)12(15)18-11-10-17-9-8-16-2/h14H,3-11H2,1-2H3
InChIKeyWABJICDNWATXMS-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.11
Rot. Bonds9

About 2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate

2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate (PubChem CID 106978134) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate
PubChem CID106978134
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate
SMILESCCCC1(C(=O)OCCOCCOC)CCCN1
InChIInChI=1S/C13H25NO4/c1-3-5-13(6-4-7-14-13)12(15)18-11-10-17-9-8-16-2/h14H,3-11H2,1-2H3
InChIKeyWABJICDNWATXMS-UHFFFAOYSA-N
XLogP1.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate (CID 106978134) is 2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate is CCCC1(C(=O)OCCOCCOC)CCCN1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate?
The InChIKey is WABJICDNWATXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-5-13(6-4-7-14-13)12(15)18-11-10-17-9-8-16-2/h14H,3-11H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate?
2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 1.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate is sourced from PubChem (CID 106978134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).