2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid

C13H14FNO4 — CID 64604597

IUPAC2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C13H14FNO4/c14-10-3-1-2-4-11(10)19-8-12(16)15-6-9(7-15)5-13(17)18/h1-4,9H,5-8H2,(H,17,18)
InChIKeyORIJYONQQPGOFK-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.14
Rot. Bonds5

About 2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid

2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid (PubChem CID 64604597) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid
PubChem CID64604597
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C13H14FNO4/c14-10-3-1-2-4-11(10)19-8-12(16)15-6-9(7-15)5-13(17)18/h1-4,9H,5-8H2,(H,17,18)
InChIKeyORIJYONQQPGOFK-UHFFFAOYSA-N
XLogP1.14
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64603134
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124589814
2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64618532
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124611644
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone;hydrochloride
CID 120743237
1-[2-(2-fluorophenoxy)acetyl]-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide
CID 95367688
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512369
1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 90512446
N-(4-acetamidophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512660
2-[1-[3-(2-fluorophenyl)sulfanylpropanoyl]azetidin-3-yl]acetic acid
CID 64605784

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid (CID 64604597) is 2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)COc2ccccc2F)C1.
What is the InChIKey of 2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid?
The InChIKey is ORIJYONQQPGOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-10-3-1-2-4-11(10)19-8-12(16)15-6-9(7-15)5-13(17)18/h1-4,9H,5-8H2,(H,17,18).
What are the key properties of 2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid?
2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid has a molecular weight of 267.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).