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

C15H19NO5 — CID 64603134

IUPAC2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid
SMILESCCOc1ccccc1OCC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C15H19NO5/c1-2-20-12-5-3-4-6-13(12)21-10-14(17)16-8-11(9-16)7-15(18)19/h3-6,11H,2,7-10H2,1H3,(H,18,19)
InChIKeyDUOKCGLLVDSKLB-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.40
Rot. Bonds7

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

2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid (PubChem CID 64603134) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid
PubChem CID64603134
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid
SMILESCCOc1ccccc1OCC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C15H19NO5/c1-2-20-12-5-3-4-6-13(12)21-10-14(17)16-8-11(9-16)7-15(18)19/h3-6,11H,2,7-10H2,1H3,(H,18,19)
InChIKeyDUOKCGLLVDSKLB-UHFFFAOYSA-N
XLogP1.40
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 106671784
2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64604597
1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 119378361
1-[2-(2-ethoxyphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119451
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 120750346
(3S,4S)-1-[2-(2-ethoxyphenoxy)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950377
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 48866992
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108568641
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108534050

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid (CID 64603134) is 2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid is CCOc1ccccc1OCC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid?
The InChIKey is DUOKCGLLVDSKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-20-12-5-3-4-6-13(12)21-10-14(17)16-8-11(9-16)7-15(18)19/h3-6,11H,2,7-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid?
2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64603134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).