2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid

C15H21NO4 — CID 64617332

IUPAC2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
SMILESCCOc1ccc(OCCN2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H21NO4/c1-2-19-13-3-5-14(6-4-13)20-8-7-16-10-12(11-16)9-15(17)18/h3-6,12H,2,7-11H2,1H3,(H,17,18)
InChIKeyJRCNQMVWOIRHBZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds8

About 2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid

2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid (PubChem CID 64617332) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
PubChem CID64617332
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
SMILESCCOc1ccc(OCCN2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H21NO4/c1-2-19-13-3-5-14(6-4-13)20-8-7-16-10-12(11-16)9-15(17)18/h3-6,12H,2,7-11H2,1H3,(H,17,18)
InChIKeyJRCNQMVWOIRHBZ-UHFFFAOYSA-N
XLogP1.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid
CID 64616475
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine
CID 63871973
2-[(3R,4S)-1-[2-(4-fluorophenoxy)ethyl]-4-hydroxypyrrolidin-3-yl]acetic acid
CID 155503784
2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64618532
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
(3S,4S)-4-methyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 98534348
2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid
CID 64603524
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid (CID 64617332) is 2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid is CCOc1ccc(OCCN2CC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid?
The InChIKey is JRCNQMVWOIRHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-19-13-3-5-14(6-4-13)20-8-7-16-10-12(11-16)9-15(17)18/h3-6,12H,2,7-11H2,1H3,(H,17,18).
What are the key properties of 2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid?
2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).