4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid

C16H20FNO3 — CID 119173402

IUPAC4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C16H20FNO3/c1-18(10-3-7-14(19)20)15(21)16(8-4-9-16)12-5-2-6-13(17)11-12/h2,5-6,11H,3-4,7-10H2,1H3,(H,19,20)
InChIKeyMUUFPCQQIJFMNF-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.57
Rot. Bonds6

About 4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid

4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid (PubChem CID 119173402) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid
PubChem CID119173402
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C16H20FNO3/c1-18(10-3-7-14(19)20)15(21)16(8-4-9-16)12-5-2-6-13(17)11-12/h2,5-6,11H,3-4,7-10H2,1H3,(H,19,20)
InChIKeyMUUFPCQQIJFMNF-UHFFFAOYSA-N
XLogP2.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid (CID 119173402) is 4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid?
The InChIKey is MUUFPCQQIJFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-18(10-3-7-14(19)20)15(21)16(8-4-9-16)12-5-2-6-13(17)11-12/h2,5-6,11H,3-4,7-10H2,1H3,(H,19,20).
What are the key properties of 4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid?
4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid has a molecular weight of 293.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid is sourced from PubChem (CID 119173402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).