4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid

C12H21NO2 — CID 79694621

IUPAC4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CN(C2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H21NO2/c1-2-9-7-13(8-9)11-5-3-10(4-6-11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyMQKXNDIUNBWYLX-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds3

About 4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid

4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 79694621) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID79694621
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CN(C2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H21NO2/c1-2-9-7-13(8-9)11-5-3-10(4-6-11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyMQKXNDIUNBWYLX-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid
CID 79689061
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
1-cyclopentyl-3-ethylazetidine
CID 126716457
(3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid
CID 123940472
4-(4-pentylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 12809532
1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid
CID 83990502
4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 129497284
4-[(3S)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 129497292
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 116979822
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid (CID 79694621) is 4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid is CCC1CN(C2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is MQKXNDIUNBWYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-9-7-13(8-9)11-5-3-10(4-6-11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid?
4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79694621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).