[1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate

C11H21NO2 — CID 176937657

IUPAC[1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CC(CC(C)C)N(C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)5-10-6-11(7-12(10)4)14-9(3)13/h8,10-11H,5-7H2,1-4H3
InChIKeyHLLXQXWGALIMDK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About [1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate

[1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate (PubChem CID 176937657) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate
PubChem CID176937657
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CC(CC(C)C)N(C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)5-10-6-11(7-12(10)4)14-9(3)13/h8,10-11H,5-7H2,1-4H3
InChIKeyHLLXQXWGALIMDK-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 170097467
(2S)-4-acetyloxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67766306
(2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 155459347
(1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate
CID 137430030
(2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine
CID 88977159
2-(1-acetylazetidin-3-yl)oxy-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]ethanone
CID 136566481
4-(1-methylaziridin-2-yl)butan-2-one
CID 167665229
[3-(2-oxopropyl)cyclopentyl] acetate
CID 71394247
(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995610
[(3R,5R)-5-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-yl] acetate
CID 139719881
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one
CID 147250143

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate?
The IUPAC name of [1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate (CID 176937657) is [1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate.
What is the SMILES notation for [1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate?
The canonical SMILES for [1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate is CC(=O)OC1CC(CC(C)C)N(C)C1.
What is the InChIKey of [1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate?
The InChIKey is HLLXQXWGALIMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)5-10-6-11(7-12(10)4)14-9(3)13/h8,10-11H,5-7H2,1-4H3.
What are the key properties of [1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate?
[1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate is sourced from PubChem (CID 176937657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).