4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid

C14H20FNO2 — CID 112680317

IUPAC4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid
SMILESCCC(N)C(CC)(CC(=O)O)c1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-3-12(16)14(4-2,9-13(17)18)10-7-5-6-8-11(10)15/h5-8,12H,3-4,9,16H2,1-2H3,(H,17,18)
InChIKeyGOMARVMYKFMJJR-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.69
Rot. Bonds6

About 4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid

4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid (PubChem CID 112680317) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid.

Molecular Properties

Compound Name4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid
PubChem CID112680317
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid
SMILESCCC(N)C(CC)(CC(=O)O)c1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-3-12(16)14(4-2,9-13(17)18)10-7-5-6-8-11(10)15/h5-8,12H,3-4,9,16H2,1-2H3,(H,17,18)
InChIKeyGOMARVMYKFMJJR-UHFFFAOYSA-N
XLogP2.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-ethyl-3-phenylhexanoic acid
CID 66096689
4-amino-3-phenyl-3-propylhexanoic acid
CID 66096089
4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid
CID 66097321
4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)hexanoic acid
CID 112586778
2-ethoxycarbonyl-2-(2-fluorophenyl)-4-methylpentanoic acid
CID 103974974
ethyl 2-(aminomethyl)-2-(2-fluorophenyl)-4-methylhexanoate
CID 106490548
diethyl 2-benzyl-2-(2-fluorophenyl)propanedioate
CID 114982602
2-(diethylamino)-2-(2-fluorophenyl)butanoic acid
CID 112679517
4-amino-3-(4-chlorophenyl)-3-ethylpentanoic acid
CID 66097085
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate
CID 115997209
methyl 4-amino-3-phenyl-3-propylhexanoate
CID 66097736
5-ethyl-3-(2-fluorophenyl)heptan-3-ol
CID 112679496

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid?
The IUPAC name of 4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid (CID 112680317) is 4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid.
What is the SMILES notation for 4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid?
The canonical SMILES for 4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid is CCC(N)C(CC)(CC(=O)O)c1ccccc1F.
What is the InChIKey of 4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid?
The InChIKey is GOMARVMYKFMJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-12(16)14(4-2,9-13(17)18)10-7-5-6-8-11(10)15/h5-8,12H,3-4,9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid?
4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid is sourced from PubChem (CID 112680317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).