3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid

C11H19NO2 — CID 79689061

IUPAC3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCC1CN(C2CCC(C(=O)O)C2)C1
InChIInChI=1S/C11H19NO2/c1-2-8-6-12(7-8)10-4-3-9(5-10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyIYUFQRJRGFGVBJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds3

About 3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid

3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79689061) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79689061
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCC1CN(C2CCC(C(=O)O)C2)C1
InChIInChI=1S/C11H19NO2/c1-2-8-6-12(7-8)10-4-3-9(5-10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyIYUFQRJRGFGVBJ-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694621
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
3-(4-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821304
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
(3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid
CID 123940472
1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid
CID 83990502
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
1-cyclopentyl-3-ethylazetidine
CID 126716457
1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid
CID 107430456
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid (CID 79689061) is 3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid is CCC1CN(C2CCC(C(=O)O)C2)C1.
What is the InChIKey of 3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is IYUFQRJRGFGVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-8-6-12(7-8)10-4-3-9(5-10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid?
3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79689061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).