2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid

C15H27NO2 — CID 79695044

IUPAC2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid
SMILESCC(C)(C)C1CN(C(C(=O)O)C2CCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-15(2,3)12-9-16(10-12)13(14(17)18)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeySUFWFMBCQOVNSR-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid

2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid (PubChem CID 79695044) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid
PubChem CID79695044
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid
SMILESCC(C)(C)C1CN(C(C(=O)O)C2CCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-15(2,3)12-9-16(10-12)13(14(17)18)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeySUFWFMBCQOVNSR-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-(3-ethylazetidin-1-yl)acetic acid
CID 79694528
2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
CID 43803517
(2R)-2-cyclohexyl-2-(3-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 142021732
2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid
CID 79695487
2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 58786485
2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid
CID 104575554
2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid
CID 79695810
2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid
CID 79695676
2-(3-tert-butylazetidin-1-yl)pentanoic acid
CID 79695452
acetic acid;tert-butylcyclohexane
CID 69013500
(2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid
CID 20672311
(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetic acid
CID 20664167

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid?
The IUPAC name of 2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid (CID 79695044) is 2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid.
What is the SMILES notation for 2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid?
The canonical SMILES for 2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid is CC(C)(C)C1CN(C(C(=O)O)C2CCCCC2)C1.
What is the InChIKey of 2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid?
The InChIKey is SUFWFMBCQOVNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)12-9-16(10-12)13(14(17)18)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid?
2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid has a molecular weight of 253.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid is sourced from PubChem (CID 79695044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).