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

C13H23NO2 — CID 79694598

IUPAC2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCCC1CN(C2CCCCC2C(=O)O)C1
InChIInChI=1S/C13H23NO2/c1-2-5-10-8-14(9-10)12-7-4-3-6-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyWYTPWQHZLVOEPH-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds4

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

2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 79694598) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID79694598
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCCC1CN(C2CCCCC2C(=O)O)C1
InChIInChI=1S/C13H23NO2/c1-2-5-10-8-14(9-10)12-7-4-3-6-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyWYTPWQHZLVOEPH-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069609
2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63068743
2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 79688129
2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069621
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexane-1-carboxylic acid
CID 79935193
2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114540602
2-(2-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83061636
2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 63075439
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695533
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
CID 102746280

Frequently Asked Questions

What is the IUPAC name of 2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid (CID 79694598) is 2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid is CCCC1CN(C2CCCCC2C(=O)O)C1.
What is the InChIKey of 2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is WYTPWQHZLVOEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-5-10-8-14(9-10)12-7-4-3-6-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid?
2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79694598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).