2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid

C12H21NO2 — CID 79688598

IUPAC2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)CN(CC2CCCC2C(=O)O)C1
InChIInChI=1S/C12H21NO2/c1-12(2)7-13(8-12)6-9-4-3-5-10(9)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyOBVWCZJJTAFYSH-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.83
Rot. Bonds3

About 2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid

2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 79688598) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID79688598
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)CN(CC2CCCC2C(=O)O)C1
InChIInChI=1S/C12H21NO2/c1-12(2)7-13(8-12)6-9-4-3-5-10(9)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyOBVWCZJJTAFYSH-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 79688129
2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 79688831
ethylboronic acid;2-(piperidin-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 145395519
2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695533
2-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107000450
trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
CID 96581659
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
cis-(1S,2S)-2-(fluoromethyl)cyclohexane-1-carboxylic acid
CID 96581669

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid (CID 79688598) is 2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid is CC1(C)CN(CC2CCCC2C(=O)O)C1.
What is the InChIKey of 2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is OBVWCZJJTAFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2)7-13(8-12)6-9-4-3-5-10(9)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79688598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).