2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid

C16H22FNO2 — CID 122039690

IUPAC2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid
SMILESCCCCC(NC1CC(c2ccc(F)cc2)C1)C(=O)O
InChIInChI=1S/C16H22FNO2/c1-2-3-4-15(16(19)20)18-14-9-12(10-14)11-5-7-13(17)8-6-11/h5-8,12,14-15,18H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyARTCKLQIERNHIS-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.30
Rot. Bonds7

About 2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid

2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid (PubChem CID 122039690) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid
PubChem CID122039690
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid
SMILESCCCCC(NC1CC(c2ccc(F)cc2)C1)C(=O)O
InChIInChI=1S/C16H22FNO2/c1-2-3-4-15(16(19)20)18-14-9-12(10-14)11-5-7-13(17)8-6-11/h5-8,12,14-15,18H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyARTCKLQIERNHIS-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid
CID 122044721
2-[[3-(3-fluorophenyl)cyclobutyl]amino]hexanoic acid
CID 122039640
(2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
CID 122037960
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide
CID 43684863
2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid
CID 122039605
2-(cyclopropylamino)heptanoic acid
CID 43754511
(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid
CID 122038955
2-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 120537896
2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid
CID 122039850
2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152
(2S)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]hexanoic acid
CID 120615005
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 129446041

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid (CID 122039690) is 2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid is CCCCC(NC1CC(c2ccc(F)cc2)C1)C(=O)O.
What is the InChIKey of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid?
The InChIKey is ARTCKLQIERNHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-3-4-15(16(19)20)18-14-9-12(10-14)11-5-7-13(17)8-6-11/h5-8,12,14-15,18H,2-4,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid?
2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid has a molecular weight of 279.36 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid is sourced from PubChem (CID 122039690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).