2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid

C14H20FNO2 — CID 151716551

IUPAC2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid
SMILESCC(CC(C)(N)C(=O)O)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-9(8-14(3,16)13(17)18)10(2)11-4-6-12(15)7-5-11/h4-7,9-10H,8,16H2,1-3H3,(H,17,18)
InChIKeyRHRLNNXPPVXBIG-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.76
Rot. Bonds5

About 2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid

2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid (PubChem CID 151716551) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid
PubChem CID151716551
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid
SMILESCC(CC(C)(N)C(=O)O)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-9(8-14(3,16)13(17)18)10(2)11-4-6-12(15)7-5-11/h4-7,9-10H,8,16H2,1-3H3,(H,17,18)
InChIKeyRHRLNNXPPVXBIG-UHFFFAOYSA-N
XLogP2.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid
CID 150114783
3-(4-fluorophenyl)-2-methylbutan-1-amine
CID 81010865
2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid
CID 151150433
2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid
CID 150363705
3-(4-fluorophenyl)-2-hydroxy-2-methylbutanoic acid
CID 79303766
4-(4-fluorophenyl)-2-methylpentan-2-amine
CID 83907847
3-(4-fluorophenyl)-2-hydroxybutanoic acid
CID 66287776
2-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentanoic acid
CID 64709886
methyl 2-bromo-3-(4-fluorophenyl)butanoate
CID 83665504
3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid
CID 166652474
3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine
CID 58458290

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid?
The IUPAC name of 2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid (CID 151716551) is 2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid.
What is the SMILES notation for 2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid?
The canonical SMILES for 2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid is CC(CC(C)(N)C(=O)O)C(C)c1ccc(F)cc1.
What is the InChIKey of 2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid?
The InChIKey is RHRLNNXPPVXBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(8-14(3,16)13(17)18)10(2)11-4-6-12(15)7-5-11/h4-7,9-10H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid?
2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid is sourced from PubChem (CID 151716551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).