2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate

C14H27NO5 — CID 104562939

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate
SMILESCCC1(C(=O)OCCOCCOCCOC)CCNC1
InChIInChI=1S/C14H27NO5/c1-3-14(4-5-15-12-14)13(16)20-11-10-19-9-8-18-7-6-17-2/h15H,3-12H2,1-2H3
InChIKeyNMPGGOOMRGDRPT-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.60
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate (PubChem CID 104562939) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate
PubChem CID104562939
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate
SMILESCCC1(C(=O)OCCOCCOCCOC)CCNC1
InChIInChI=1S/C14H27NO5/c1-3-14(4-5-15-12-14)13(16)20-11-10-19-9-8-18-7-6-17-2/h15H,3-12H2,1-2H3
InChIKeyNMPGGOOMRGDRPT-UHFFFAOYSA-N
XLogP0.60
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate (CID 104562939) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate is CCC1(C(=O)OCCOCCOCCOC)CCNC1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate?
The InChIKey is NMPGGOOMRGDRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-3-14(4-5-15-12-14)13(16)20-11-10-19-9-8-18-7-6-17-2/h15H,3-12H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate has a molecular weight of 289.37 g/mol, XLogP of 0.60, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 104562939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).