1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate

C11H21NO2 — CID 174558406

IUPAC1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate
SMILESCC(OC(=O)C(C)(C)C)C1CCNC1
InChIInChI=1S/C11H21NO2/c1-8(9-5-6-12-7-9)14-10(13)11(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeySCQUTWXSOIJMSU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds2

About 1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate

1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate (PubChem CID 174558406) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate
PubChem CID174558406
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate
SMILESCC(OC(=O)C(C)(C)C)C1CCNC1
InChIInChI=1S/C11H21NO2/c1-8(9-5-6-12-7-9)14-10(13)11(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeySCQUTWXSOIJMSU-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-4-yl)ethyl 2,2-dimethylpropanoate
CID 174702344
(2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate
CID 174587762
1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
CID 67195129
3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid
CID 69238948
(2-bromo-2-piperidin-4-ylacetyl) 2,2-dimethylpropanoate
CID 174528779
1-cyclopentylethyl 2,2,2-trichloroacetate
CID 566281
[(4-chlorophenyl)-piperidin-4-ylmethyl] 2,2-dimethylpropanoate
CID 174613743
1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977252
tert-butyl formate;1-pyrrolidin-3-ylethanol
CID 175295526
3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine
CID 146228066
2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
CID 174748022
[piperidin-3-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate
CID 174676624

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate?
The IUPAC name of 1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate (CID 174558406) is 1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate?
The canonical SMILES for 1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate is CC(OC(=O)C(C)(C)C)C1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate?
The InChIKey is SCQUTWXSOIJMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(9-5-6-12-7-9)14-10(13)11(2,3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate?
1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174558406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).