2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid

C13H22N2O2 — CID 80997151

IUPAC2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H22N2O2/c16-13(17)11-3-4-12(11)15-8-5-10(9-15)14-6-1-2-7-14/h10-12H,1-9H2,(H,16,17)
InChIKeyZKCOYHSNJRQJCN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.02
Rot. Bonds3

About 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid

2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 80997151) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID80997151
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H22N2O2/c16-13(17)11-3-4-12(11)15-8-5-10(9-15)14-6-1-2-7-14/h10-12H,1-9H2,(H,16,17)
InChIKeyZKCOYHSNJRQJCN-UHFFFAOYSA-N
XLogP1.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid (CID 80997151) is 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is ZKCOYHSNJRQJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(17)11-3-4-12(11)15-8-5-10(9-15)14-6-1-2-7-14/h10-12H,1-9H2,(H,16,17).
What are the key properties of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid?
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 238.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80997151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).