2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid

C15H20F3NO2 — CID 150251165

IUPAC2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid
SMILESCCC(Cc1ccc(C(F)(F)F)cc1)CC(C)(N)C(=O)O
InChIInChI=1S/C15H20F3NO2/c1-3-10(9-14(2,19)13(20)21)8-11-4-6-12(7-5-11)15(16,17)18/h4-7,10H,3,8-9,19H2,1-2H3,(H,20,21)
InChIKeyFZOVHSDSXDOKKF-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.47
Rot. Bonds6

About 2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid

2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid (PubChem CID 150251165) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid
PubChem CID150251165
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid
SMILESCCC(Cc1ccc(C(F)(F)F)cc1)CC(C)(N)C(=O)O
InChIInChI=1S/C15H20F3NO2/c1-3-10(9-14(2,19)13(20)21)8-11-4-6-12(7-5-11)15(16,17)18/h4-7,10H,3,8-9,19H2,1-2H3,(H,20,21)
InChIKeyFZOVHSDSXDOKKF-UHFFFAOYSA-N
XLogP3.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanoic acid
CID 55106534
3-ethoxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 103973539
2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid
CID 151689905
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
[4-(trifluoromethyl)phenyl]methyl 2-aminobutanoate
CID 174480491
(2S)-2-amino-4-ethyl-2-methylhexanoic acid;benzenesulfonic acid
CID 86608884
2-bromo-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one
CID 62394805
ethyl 2-chloro-3-[4-(trifluoromethyl)phenyl]propanoate
CID 83194781
(2R,4S)-2-amino-4-[[4-(trifluoromethyl)phenyl]methyl]pentanedioic acid
CID 11120288
(2S)-2-(ethylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 175779531
ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate
CID 75535024

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid?
The IUPAC name of 2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid (CID 150251165) is 2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid is CCC(Cc1ccc(C(F)(F)F)cc1)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid?
The InChIKey is FZOVHSDSXDOKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-3-10(9-14(2,19)13(20)21)8-11-4-6-12(7-5-11)15(16,17)18/h4-7,10H,3,8-9,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid?
2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid has a molecular weight of 303.32 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid is sourced from PubChem (CID 150251165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).