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

C13H16FNO3 — CID 64618532

IUPAC2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCOc2ccccc2F)C1
InChIInChI=1S/C13H16FNO3/c14-11-3-1-2-4-12(11)18-6-5-15-8-10(9-15)7-13(16)17/h1-4,10H,5-9H2,(H,16,17)
InChIKeyUBNRTNPVQBQXHG-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.61
Rot. Bonds6

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

2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid (PubChem CID 64618532) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
PubChem CID64618532
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCOc2ccccc2F)C1
InChIInChI=1S/C13H16FNO3/c14-11-3-1-2-4-12(11)18-6-5-15-8-10(9-15)7-13(16)17/h1-4,10H,5-9H2,(H,16,17)
InChIKeyUBNRTNPVQBQXHG-UHFFFAOYSA-N
XLogP1.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64604597
(3S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 94918445
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904523
2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid
CID 64616475
(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol
CID 78963291
methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate
CID 113224746
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 27107038
1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine
CID 110638324
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
2-[1-[2-[2-(trifluoromethyl)phenoxy]ethyl]azepan-4-yl]acetic acid;hydrochloride
CID 120953649
N-benzyl-2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 18138118

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid (CID 64618532) is 2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(CCOc2ccccc2F)C1.
What is the InChIKey of 2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid?
The InChIKey is UBNRTNPVQBQXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-11-3-1-2-4-12(11)18-6-5-15-8-10(9-15)7-13(16)17/h1-4,10H,5-9H2,(H,16,17).
What are the key properties of 2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid?
2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid has a molecular weight of 253.27 g/mol, XLogP of 1.61, 6 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)ethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).