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

C21H23NO5 — CID 119217220

IUPAC2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)COc2ccccc2OCc2ccccc2)CCC1
InChIInChI=1S/C21H23NO5/c23-19(22-21(11-6-12-21)13-20(24)25)15-27-18-10-5-4-9-17(18)26-14-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2,(H,22,23)(H,24,25)
InChIKeyORVGLEPRDMAYKC-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.16
Rot. Bonds9

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

2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 119217220) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
PubChem CID119217220
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)COc2ccccc2OCc2ccccc2)CCC1
InChIInChI=1S/C21H23NO5/c23-19(22-21(11-6-12-21)13-20(24)25)15-27-18-10-5-4-9-17(18)26-14-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2,(H,22,23)(H,24,25)
InChIKeyORVGLEPRDMAYKC-UHFFFAOYSA-N
XLogP3.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844002
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
N-[1-(hydroxymethyl)cyclobutyl]-2-(2-methoxyphenoxy)acetamide
CID 115878022
2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217956
2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79848711
2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119218009
2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid
CID 119217384
2-[1-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217713
2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844652
2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164815
1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351152

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid (CID 119217220) is 2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)COc2ccccc2OCc2ccccc2)CCC1.
What is the InChIKey of 2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is ORVGLEPRDMAYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c23-19(22-21(11-6-12-21)13-20(24)25)15-27-18-10-5-4-9-17(18)26-14-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2,(H,22,23)(H,24,25).
What are the key properties of 2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).