2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid

C11H19NO2 — CID 79694901

IUPAC2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid
SMILESCC1CCN1C1(CC(=O)O)CCCC1
InChIInChI=1S/C11H19NO2/c1-9-4-7-12(9)11(8-10(13)14)5-2-3-6-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyZKBCKVNIQMINFQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.87
Rot. Bonds3

About 2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid

2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid (PubChem CID 79694901) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid
PubChem CID79694901
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid
SMILESCC1CCN1C1(CC(=O)O)CCCC1
InChIInChI=1S/C11H19NO2/c1-9-4-7-12(9)11(8-10(13)14)5-2-3-6-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyZKBCKVNIQMINFQ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294
2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329
2-[3-methyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65421643
2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 64526836
2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141887
2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid
CID 79694488
3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid
CID 164655461
2-[1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentyl]acetic acid
CID 64835528
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
2-(1-piperazin-1-ylcyclohexyl)acetic acid
CID 115035729
[1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 24697145
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid (CID 79694901) is 2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid is CC1CCN1C1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid?
The InChIKey is ZKBCKVNIQMINFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-4-7-12(9)11(8-10(13)14)5-2-3-6-11/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid?
2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid is sourced from PubChem (CID 79694901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).