2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid

C16H24FNO2 — CID 84752374

IUPAC2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
SMILESCCCN(CCC)C(C)(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C16H24FNO2/c1-4-9-18(10-5-2)16(3,15(19)20)12-13-7-6-8-14(17)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,19,20)
InChIKeyXELQHFXWWGODHZ-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.33
Rot. Bonds8

About 2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid

2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid (PubChem CID 84752374) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
PubChem CID84752374
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
SMILESCCCN(CCC)C(C)(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C16H24FNO2/c1-4-9-18(10-5-2)16(3,15(19)20)12-13-7-6-8-14(17)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,19,20)
InChIKeyXELQHFXWWGODHZ-UHFFFAOYSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
CID 83855515
[(2S)-1-(3-fluorophenyl)-2-(hydroxymethyl)-3,3-dimethylbutan-2-yl]carbamic acid
CID 67069204
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one
CID 79062956
3-(3-fluorophenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 114832162
2-(dipropylamino)-2-methylbutanoic acid
CID 78969481
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
2-ethyl-2-[[(3-fluorophenyl)methylamino]methyl]butanoic acid
CID 122129230
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid (CID 84752374) is 2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid is CCCN(CCC)C(C)(Cc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid?
The InChIKey is XELQHFXWWGODHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-9-18(10-5-2)16(3,15(19)20)12-13-7-6-8-14(17)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid?
2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid has a molecular weight of 281.37 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 84752374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).