2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid

C15H27NO2 — CID 79694488

IUPAC2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid
SMILESCC(C)(C)C1CN(C2(CC(=O)O)CCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-14(2,3)12-10-16(11-12)15(9-13(17)18)7-5-4-6-8-15/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyFTDVOALLTFZXMR-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds3

About 2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid

2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid (PubChem CID 79694488) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid
PubChem CID79694488
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid
SMILESCC(C)(C)C1CN(C2(CC(=O)O)CCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-14(2,3)12-10-16(11-12)15(9-13(17)18)7-5-4-6-8-15/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyFTDVOALLTFZXMR-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid
CID 79851479
2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid
CID 65094530
2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294
2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329
2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid
CID 64527604
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
2-(1-piperazin-1-ylcyclohexyl)acetic acid
CID 115035729
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
2-(3-tert-butylazetidin-1-yl)acetic acid
CID 79687035
2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
2-[1-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclohexyl]acetic acid
CID 79874270
2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid
CID 79694901

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid (CID 79694488) is 2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid is CC(C)(C)C1CN(C2(CC(=O)O)CCCCC2)C1.
What is the InChIKey of 2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid?
The InChIKey is FTDVOALLTFZXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,3)12-10-16(11-12)15(9-13(17)18)7-5-4-6-8-15/h12H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid?
2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid is sourced from PubChem (CID 79694488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).