3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid

C11H22N2O2 — CID 126573235

IUPAC3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
SMILESCCN(CC)CCC1CCN(C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-3-12(4-2)7-5-10-6-8-13(9-10)11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyXUKRUOQQGAFHJR-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.72
Rot. Bonds5

About 3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid

3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid (PubChem CID 126573235) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
PubChem CID126573235
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
SMILESCCN(CC)CCC1CCN(C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-3-12(4-2)7-5-10-6-8-13(9-10)11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyXUKRUOQQGAFHJR-UHFFFAOYSA-N
XLogP1.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
CID 89158882
3-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid
CID 87338989
3-(2-acetyl-3-oxobutyl)pyrrolidine-1-carboxylic acid
CID 172776765
(2S)-2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573244
3-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 123542775
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
(2S)-2-amino-2-cyclohexyl-1-[(3R)-3-[2-[ethyl(2-phenylethyl)amino]ethyl]pyrrolidin-1-yl]ethanone
CID 143118349
4-[3-[ethyl(2-hydroxyethyl)amino]propoxymethyl]piperidine-1-carboxylic acid
CID 22279332
hexane;9-[2-(1-propanoylpyrrolidin-3-yl)ethyl-tridecylamino]nonan-2-one
CID 177193987
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid (CID 126573235) is 3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid is CCN(CC)CCC1CCN(C(=O)O)C1.
What is the InChIKey of 3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is XUKRUOQQGAFHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-12(4-2)7-5-10-6-8-13(9-10)11(14)15/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid?
3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 126573235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).