2-(azetidin-3-yl)cyclohexane-1-carboxylic acid

C10H17NO2 — CID 55253786

IUPAC2-(azetidin-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C1CNC1
InChIInChI=1S/C10H17NO2/c12-10(13)9-4-2-1-3-8(9)7-5-11-6-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyIZTXZOYTVNEDET-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.10
Rot. Bonds2

About 2-(azetidin-3-yl)cyclohexane-1-carboxylic acid

2-(azetidin-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 55253786) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(azetidin-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(azetidin-3-yl)cyclohexane-1-carboxylic acid
PubChem CID55253786
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(azetidin-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C1CNC1
InChIInChI=1S/C10H17NO2/c12-10(13)9-4-2-1-3-8(9)7-5-11-6-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyIZTXZOYTVNEDET-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(azetidin-3-yl)cyclohexane-1-carboxylic acid (CID 55253786) is 2-(azetidin-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(azetidin-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(azetidin-3-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is IZTXZOYTVNEDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(13)9-4-2-1-3-8(9)7-5-11-6-7/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 2-(azetidin-3-yl)cyclohexane-1-carboxylic acid?
2-(azetidin-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55253786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).