2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid

C16H21NO4 — CID 79844002

IUPAC2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESCCc1cccc(OCC(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C16H21NO4/c1-2-12-5-3-6-13(9-12)21-11-14(18)17-16(7-4-8-16)10-15(19)20/h3,5-6,9H,2,4,7-8,10-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyZDBYCTMQDVKKCG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.14
Rot. Bonds7

About 2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79844002) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid
PubChem CID79844002
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESCCc1cccc(OCC(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C16H21NO4/c1-2-12-5-3-6-13(9-12)21-11-14(18)17-16(7-4-8-16)10-15(19)20/h3,5-6,9H,2,4,7-8,10-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyZDBYCTMQDVKKCG-UHFFFAOYSA-N
XLogP2.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79848711
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217956
2-(3-ethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643579
2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844652
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217220
2-(3-ethylphenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64866142
2-[1-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217713
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid (CID 79844002) is 2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid is CCc1cccc(OCC(=O)NC2(CC(=O)O)CCC2)c1.
What is the InChIKey of 2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is ZDBYCTMQDVKKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-12-5-3-6-13(9-12)21-11-14(18)17-16(7-4-8-16)10-15(19)20/h3,5-6,9H,2,4,7-8,10-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79844002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).