2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid

C21H23NO2 — CID 46907384

IUPAC2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H23NO2/c23-21(24)14-17-15-22(16-17)13-7-12-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-12,17H,7,13-16H2,(H,23,24)
InChIKeySZBREYXZWYIOCV-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.91
Rot. Bonds7

About 2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid

2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid (PubChem CID 46907384) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid
PubChem CID46907384
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H23NO2/c23-21(24)14-17-15-22(16-17)13-7-12-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-12,17H,7,13-16H2,(H,23,24)
InChIKeySZBREYXZWYIOCV-UHFFFAOYSA-N
XLogP3.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4,4-Diphenyl-but-3-enyl)-pyrrolidin-3-yl]-acetic acid
CID 9927708
2-(1-Spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidin-3-yl)acetic acid
CID 49836634
1-(4-Phenethylbenzyl)azetidine-3-carboxylic acid
CID 59451883
1-(Diphenylmethyl)azetidine-3-carboxylic acid
CID 2735440
Tazadolene Succinate
CID 6536916
4-(3-Benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride
CID 44536996
2-[1-(4,4-Diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride
CID 46703625
1-(4-Cyano-4,4-diphenyl-butyl)-piperidine-4-carboxylic acid
CID 11689833
4-(4,4-Diphenyl-but-3-enylamino)-butyric acid
CID 44373309
1-(4,4-Diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride
CID 46703479
Butyric acid, 4-(4-benzylpiperidin-1-yl)-4-oxo-
CID 756909
4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 2823123

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid (CID 46907384) is 2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(CCC=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid?
The InChIKey is SZBREYXZWYIOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c23-21(24)14-17-15-22(16-17)13-7-12-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-12,17H,7,13-16H2,(H,23,24).
What are the key properties of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid?
2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid has a molecular weight of 321.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-diphenylbut-3-enyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 46907384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).