4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid

C15H20FNO2 — CID 119958670

IUPAC4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
SMILESO=C(O)CCCNC(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C15H20FNO2/c16-13-8-6-12(7-9-13)15(11-3-1-4-11)17-10-2-5-14(18)19/h6-9,11,15,17H,1-5,10H2,(H,18,19)
InChIKeyGWWLJSPBHABYSJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.12
Rot. Bonds7

About 4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid

4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid (PubChem CID 119958670) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
PubChem CID119958670
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
SMILESO=C(O)CCCNC(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C15H20FNO2/c16-13-8-6-12(7-9-13)15(11-3-1-4-11)17-10-2-5-14(18)19/h6-9,11,15,17H,1-5,10H2,(H,18,19)
InChIKeyGWWLJSPBHABYSJ-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119775061
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
N-cyclopropyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 43777996
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 113350066
N-[3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]methanesulfonamide
CID 103832837
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926634

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid?
The IUPAC name of 4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid (CID 119958670) is 4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid.
What is the SMILES notation for 4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid?
The canonical SMILES for 4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid is O=C(O)CCCNC(c1ccc(F)cc1)C1CCC1.
What is the InChIKey of 4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid?
The InChIKey is GWWLJSPBHABYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-13-8-6-12(7-9-13)15(11-3-1-4-11)17-10-2-5-14(18)19/h6-9,11,15,17H,1-5,10H2,(H,18,19).
What are the key properties of 4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid?
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid is sourced from PubChem (CID 119958670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).