3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid

C12H21NO2 — CID 130986139

IUPAC3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid
SMILESCCC1CCCCC1C1(C(=O)O)CNC1
InChIInChI=1S/C12H21NO2/c1-2-9-5-3-4-6-10(9)12(11(14)15)7-13-8-12/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyRIGRWRPSXRLEFF-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.88
Rot. Bonds3

About 3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid

3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid (PubChem CID 130986139) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid
PubChem CID130986139
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid
SMILESCCC1CCCCC1C1(C(=O)O)CNC1
InChIInChI=1S/C12H21NO2/c1-2-9-5-3-4-6-10(9)12(11(14)15)7-13-8-12/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyRIGRWRPSXRLEFF-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid?
The IUPAC name of 3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid (CID 130986139) is 3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid is CCC1CCCCC1C1(C(=O)O)CNC1.
What is the InChIKey of 3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid?
The InChIKey is RIGRWRPSXRLEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-9-5-3-4-6-10(9)12(11(14)15)7-13-8-12/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid?
3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 130986139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).