1-cyclohexylpyrrolidine-3-carboxylic acid

C11H19NO2 — CID 63032233

IUPAC1-cyclohexylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H19NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,14)
InChIKeyKMDJMNOLJMZIDV-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.73
Rot. Bonds2

About 1-cyclohexylpyrrolidine-3-carboxylic acid

1-cyclohexylpyrrolidine-3-carboxylic acid (PubChem CID 63032233) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-cyclohexylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexylpyrrolidine-3-carboxylic acid
PubChem CID63032233
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-cyclohexylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H19NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,14)
InChIKeyKMDJMNOLJMZIDV-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclohexylpyrrolidine-3-carboxylic acid (CID 63032233) is 1-cyclohexylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclohexylpyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexylpyrrolidine-3-carboxylic acid?
The InChIKey is KMDJMNOLJMZIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,14).
What are the key properties of 1-cyclohexylpyrrolidine-3-carboxylic acid?
1-cyclohexylpyrrolidine-3-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).