ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate

C14H26N2O2 — CID 64663187

IUPACethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCC1C1CCCN1
InChIInChI=1S/C14H26N2O2/c1-3-12(14(17)18-4-2)16-10-6-8-13(16)11-7-5-9-15-11/h11-13,15H,3-10H2,1-2H3
InChIKeyIAPUXJAGKNOPFK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.54
Rot. Bonds5

About ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate

ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate (PubChem CID 64663187) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate
PubChem CID64663187
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCC1C1CCCN1
InChIInChI=1S/C14H26N2O2/c1-3-12(14(17)18-4-2)16-10-6-8-13(16)11-7-5-9-15-11/h11-13,15H,3-10H2,1-2H3
InChIKeyIAPUXJAGKNOPFK-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate?
The IUPAC name of ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate (CID 64663187) is ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate is CCOC(=O)C(CC)N1CCCC1C1CCCN1.
What is the InChIKey of ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate?
The InChIKey is IAPUXJAGKNOPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-12(14(17)18-4-2)16-10-6-8-13(16)11-7-5-9-15-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate?
ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate has a molecular weight of 254.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 64663187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).