1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid

C15H18FNO4 — CID 81164148

IUPAC1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(CCCOc1ccc(F)cc1)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H18FNO4/c16-11-4-6-12(7-5-11)21-10-1-3-13(18)17-15(14(19)20)8-2-9-15/h4-7H,1-3,8-10H2,(H,17,18)(H,19,20)
InChIKeyLUHAHHSUMQAPTC-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.11
Rot. Bonds7

About 1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid

1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81164148) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid
PubChem CID81164148
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(CCCOc1ccc(F)cc1)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H18FNO4/c16-11-4-6-12(7-5-11)21-10-1-3-13(18)17-15(14(19)20)8-2-9-15/h4-7H,1-3,8-10H2,(H,17,18)(H,19,20)
InChIKeyLUHAHHSUMQAPTC-UHFFFAOYSA-N
XLogP2.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.11
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-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
1-[4-(4-methylphenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164001
2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217835
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81157933
1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43169472
1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544218
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]cyclopentane-1-carboxylic acid
CID 43351108
1-[4-(3-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119113838
1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 24769330
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
1-[3-(2-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158517

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid (CID 81164148) is 1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid is O=C(CCCOc1ccc(F)cc1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is LUHAHHSUMQAPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-11-4-6-12(7-5-11)21-10-1-3-13(18)17-15(14(19)20)8-2-9-15/h4-7H,1-3,8-10H2,(H,17,18)(H,19,20).
What are the key properties of 1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid?
1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).