5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid

C13H23NO2 — CID 112574784

IUPAC5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid
SMILESCCC1CCCCC1C1CCC(C(=O)O)N1
InChIInChI=1S/C13H23NO2/c1-2-9-5-3-4-6-10(9)11-7-8-12(14-11)13(15)16/h9-12,14H,2-8H2,1H3,(H,15,16)
InChIKeyZLWUNFQKWZLTLN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds3

About 5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid

5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid (PubChem CID 112574784) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid
PubChem CID112574784
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid
SMILESCCC1CCCCC1C1CCC(C(=O)O)N1
InChIInChI=1S/C13H23NO2/c1-2-9-5-3-4-6-10(9)11-7-8-12(14-11)13(15)16/h9-12,14H,2-8H2,1H3,(H,15,16)
InChIKeyZLWUNFQKWZLTLN-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid (CID 112574784) is 5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid is CCC1CCCCC1C1CCC(C(=O)O)N1.
What is the InChIKey of 5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZLWUNFQKWZLTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-9-5-3-4-6-10(9)11-7-8-12(14-11)13(15)16/h9-12,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid?
5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylcyclohexyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112574784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).