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

C21H23NO2 — CID 46703626

IUPAC2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid
SMILESO=C(O)CC1CCN1CCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c23-21(24)16-19-13-15-22(19)14-7-12-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19H,7,13-16H2,(H,23,24)
InChIKeyAKBUQDQQPZIAAZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.06
Rot. Bonds7

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

2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid (PubChem CID 46703626) 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-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid
PubChem CID46703626
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid
SMILESO=C(O)CC1CCN1CCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c23-21(24)16-19-13-15-22(19)14-7-12-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19H,7,13-16H2,(H,23,24)
InChIKeyAKBUQDQQPZIAAZ-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid (CID 46703626) is 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid is O=C(O)CC1CCN1CCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid?
The InChIKey is AKBUQDQQPZIAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c23-21(24)16-19-13-15-22(19)14-7-12-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19H,7,13-16H2,(H,23,24).
What are the key properties of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid?
2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid has a molecular weight of 321.42 g/mol, XLogP of 4.06, 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-2-yl]acetic acid is sourced from PubChem (CID 46703626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).