2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid

C16H20FNO4 — CID 119217835

IUPAC2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCCOc2ccc(F)cc2)CCC1
InChIInChI=1S/C16H20FNO4/c17-12-4-6-13(7-5-12)22-10-1-3-14(19)18-16(8-2-9-16)11-15(20)21/h4-7H,1-3,8-11H2,(H,18,19)(H,20,21)
InChIKeyIUWQOFZRYBFACU-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.50
Rot. Bonds8

About 2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid

2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid (PubChem CID 119217835) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
PubChem CID119217835
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCCOc2ccc(F)cc2)CCC1
InChIInChI=1S/C16H20FNO4/c17-12-4-6-13(7-5-12)22-10-1-3-14(19)18-16(8-2-9-16)11-15(20)21/h4-7H,1-3,8-11H2,(H,18,19)(H,20,21)
InChIKeyIUWQOFZRYBFACU-UHFFFAOYSA-N
XLogP2.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164148
2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119218009
2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217192
2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119214907
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544218
2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217956
2-[1-[3-(4-methoxyphenyl)sulfanylpropanoylamino]cyclobutyl]acetic acid
CID 119217418
4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide
CID 166257099
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid (CID 119217835) is 2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CCCOc2ccc(F)cc2)CCC1.
What is the InChIKey of 2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid?
The InChIKey is IUWQOFZRYBFACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c17-12-4-6-13(7-5-12)22-10-1-3-14(19)18-16(8-2-9-16)11-15(20)21/h4-7H,1-3,8-11H2,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid?
2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid has a molecular weight of 309.34 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).