methyl 4-(2-ethylpyrrolidin-1-yl)butanoate

C11H21NO2 — CID 60973990

IUPACmethyl 4-(2-ethylpyrrolidin-1-yl)butanoate
SMILESCCC1CCCN1CCCC(=O)OC
InChIInChI=1S/C11H21NO2/c1-3-10-6-4-8-12(10)9-5-7-11(13)14-2/h10H,3-9H2,1-2H3
InChIKeyXLTCJSGQEULUSP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds5

About methyl 4-(2-ethylpyrrolidin-1-yl)butanoate

methyl 4-(2-ethylpyrrolidin-1-yl)butanoate (PubChem CID 60973990) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 4-(2-ethylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-ethylpyrrolidin-1-yl)butanoate
PubChem CID60973990
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 4-(2-ethylpyrrolidin-1-yl)butanoate
SMILESCCC1CCCN1CCCC(=O)OC
InChIInChI=1S/C11H21NO2/c1-3-10-6-4-8-12(10)9-5-7-11(13)14-2/h10H,3-9H2,1-2H3
InChIKeyXLTCJSGQEULUSP-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate
CID 79538399
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate
CID 65319761
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157
2-ethyl-1-undecylpyrrolidine
CID 171569857
5-(2-ethylpyrrolidin-1-yl)-N-methylpentan-1-amine
CID 62438607
methyl 4-[2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]butanoate
CID 68999256
hydrazinyl 3-(2-ethylpiperidin-1-yl)propanoate
CID 66337668
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
methyl 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)butanoate
CID 78967455
3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide
CID 166035351

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethylpyrrolidin-1-yl)butanoate?
The IUPAC name of methyl 4-(2-ethylpyrrolidin-1-yl)butanoate (CID 60973990) is methyl 4-(2-ethylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(2-ethylpyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl 4-(2-ethylpyrrolidin-1-yl)butanoate is CCC1CCCN1CCCC(=O)OC.
What is the InChIKey of methyl 4-(2-ethylpyrrolidin-1-yl)butanoate?
The InChIKey is XLTCJSGQEULUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10-6-4-8-12(10)9-5-7-11(13)14-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 4-(2-ethylpyrrolidin-1-yl)butanoate?
methyl 4-(2-ethylpyrrolidin-1-yl)butanoate has a molecular weight of 199.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 60973990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).