2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid

C14H25NO2 — CID 79688129

IUPAC2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCCCC1CN(CC2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-2-5-11-8-15(9-11)10-12-6-3-4-7-13(12)14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyBFHINLDBYQMFQI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.61
Rot. Bonds5

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

2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 79688129) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID79688129
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCCCC1CN(CC2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-2-5-11-8-15(9-11)10-12-6-3-4-7-13(12)14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyBFHINLDBYQMFQI-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694598
ethylboronic acid;2-(piperidin-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 145395519
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 79688598
2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 79688831
2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020736
(3S,4S)-1-(cyclooctylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114207962
2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride
CID 142750509
cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 141194202
2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid
CID 81020373
2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815387
4-propylcyclononane-1-carboxylic acid
CID 123911377

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid (CID 79688129) is 2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid is CCCC1CN(CC2CCCCC2C(=O)O)C1.
What is the InChIKey of 2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BFHINLDBYQMFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-5-11-8-15(9-11)10-12-6-3-4-7-13(12)14(16)17/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.61, 5 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)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79688129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).