2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid

C16H21NO5 — CID 119217956

IUPAC2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESCCOc1ccc(OCC(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C16H21NO5/c1-2-21-12-4-6-13(7-5-12)22-11-14(18)17-16(8-3-9-16)10-15(19)20/h4-7H,2-3,8-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyVYQQCPDIXKGSDZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.98
Rot. Bonds8

About 2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 119217956) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
PubChem CID119217956
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESCCOc1ccc(OCC(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C16H21NO5/c1-2-21-12-4-6-13(7-5-12)22-11-14(18)17-16(8-3-9-16)10-15(19)20/h4-7H,2-3,8-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyVYQQCPDIXKGSDZ-UHFFFAOYSA-N
XLogP1.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
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-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844652
2-[1-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217713
2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79848711
2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217220
2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217835
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
2-[1-[3-(4-methoxyphenyl)sulfanylpropanoylamino]cyclobutyl]acetic acid
CID 119217418
2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844426

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid (CID 119217956) is 2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid is CCOc1ccc(OCC(=O)NC2(CC(=O)O)CCC2)cc1.
What is the InChIKey of 2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is VYQQCPDIXKGSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-2-21-12-4-6-13(7-5-12)22-11-14(18)17-16(8-3-9-16)10-15(19)20/h4-7H,2-3,8-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 307.35 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).