ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate

C13H25NO2 — CID 83042014

IUPACethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCCC1CC
InChIInChI=1S/C13H25NO2/c1-4-8-12(13(15)16-6-3)14-10-7-9-11(14)5-2/h11-12H,4-10H2,1-3H3
InChIKeyKAVYIJOPDGPFIK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.59
Rot. Bonds6

About ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate

ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate (PubChem CID 83042014) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate
PubChem CID83042014
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCCC1CC
InChIInChI=1S/C13H25NO2/c1-4-8-12(13(15)16-6-3)14-10-7-9-11(14)5-2/h11-12H,4-10H2,1-3H3
InChIKeyKAVYIJOPDGPFIK-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate
CID 115758761
ethyl 2-(2-propan-2-ylpyrrolidin-1-yl)pentanoate
CID 83041509
ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
CID 64662609
ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate
CID 112622706
ethyl 2-(4-methylazepan-1-yl)pentanoate
CID 79002816
ethyl 2-[2-(2-oxopropyl)azepan-1-yl]butanoate
CID 79560859
2-(2-ethylpyrrolidin-1-yl)pentan-1-amine
CID 60974673
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
ethane;2-ethyl-1-pentan-2-ylpyrrolidine
CID 156889102
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate?
The IUPAC name of ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate (CID 83042014) is ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate is CCCC(C(=O)OCC)N1CCCC1CC.
What is the InChIKey of ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate?
The InChIKey is KAVYIJOPDGPFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-8-12(13(15)16-6-3)14-10-7-9-11(14)5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate?
ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate has a molecular weight of 227.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate is sourced from PubChem (CID 83042014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).