2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid

C15H19F4NO2 — CID 151160778

IUPAC2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid
SMILESCCC(CCc1c(F)c(F)cc(F)c1F)CC(C)(N)C(=O)O
InChIInChI=1S/C15H19F4NO2/c1-3-8(7-15(2,20)14(21)22)4-5-9-12(18)10(16)6-11(17)13(9)19/h6,8H,3-5,7,20H2,1-2H3,(H,21,22)
InChIKeyNAFGYHUNXOBLPO-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.39
Rot. Bonds7

About 2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid

2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid (PubChem CID 151160778) has the molecular formula C15H19F4NO2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid.

Molecular Properties

Compound Name2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid
PubChem CID151160778
Molecular FormulaC15H19F4NO2
Molecular Weight321.31 g/mol
Exact Mass321.14
IUPAC Name2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid
SMILESCCC(CCc1c(F)c(F)cc(F)c1F)CC(C)(N)C(=O)O
InChIInChI=1S/C15H19F4NO2/c1-3-8(7-15(2,20)14(21)22)4-5-9-12(18)10(16)6-11(17)13(9)19/h6,8H,3-5,7,20H2,1-2H3,(H,21,22)
InChIKeyNAFGYHUNXOBLPO-UHFFFAOYSA-N
XLogP3.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid
CID 150176486
2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid
CID 150762260
2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrahydroxyphenyl)heptanoic acid
CID 151028605
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid
CID 150561865
2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid
CID 150251165
2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid
CID 152742384
2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326
(2S)-2-amino-4-ethyl-2-methylhexanoic acid;benzenesulfonic acid
CID 86608884
2-amino-4-[(2,5-diethoxyphenyl)methyl]-2-methylhexanoic acid
CID 150161464
2-(aminomethyl)-4-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid
CID 87759979
2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151774149

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid?
The IUPAC name of 2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid (CID 151160778) is 2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid.
What is the SMILES notation for 2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid?
The canonical SMILES for 2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid is CCC(CCc1c(F)c(F)cc(F)c1F)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid?
The InChIKey is NAFGYHUNXOBLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO2/c1-3-8(7-15(2,20)14(21)22)4-5-9-12(18)10(16)6-11(17)13(9)19/h6,8H,3-5,7,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid?
2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid has a molecular weight of 321.31 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid is sourced from PubChem (CID 151160778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).