ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate

C15H27NO2 — CID 64662882

IUPACethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCC1C1CCCC1
InChIInChI=1S/C15H27NO2/c1-3-13(15(17)18-4-2)16-11-7-10-14(16)12-8-5-6-9-12/h12-14H,3-11H2,1-2H3
InChIKeyHOMCVAFIPSHSDQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.98
Rot. Bonds5

About ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate

ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate (PubChem CID 64662882) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate
PubChem CID64662882
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCC1C1CCCC1
InChIInChI=1S/C15H27NO2/c1-3-13(15(17)18-4-2)16-11-7-10-14(16)12-8-5-6-9-12/h12-14H,3-11H2,1-2H3
InChIKeyHOMCVAFIPSHSDQ-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate?
The IUPAC name of ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate (CID 64662882) is ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate is CCOC(=O)C(CC)N1CCCC1C1CCCC1.
What is the InChIKey of ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate?
The InChIKey is HOMCVAFIPSHSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-13(15(17)18-4-2)16-11-7-10-14(16)12-8-5-6-9-12/h12-14H,3-11H2,1-2H3.
What are the key properties of ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate?
ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate has a molecular weight of 253.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 64662882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).