2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid

C8H15F3N2O2 — CID 129102189

IUPAC2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid
SMILESNC(CCCCNCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)5-13-4-2-1-3-6(12)7(14)15/h6,13H,1-5,12H2,(H,14,15)
InChIKeyLVTFIBFCPODBTE-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.72
Rot. Bonds7

About 2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid

2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid (PubChem CID 129102189) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid
PubChem CID129102189
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid
SMILESNC(CCCCNCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)5-13-4-2-1-3-6(12)7(14)15/h6,13H,1-5,12H2,(H,14,15)
InChIKeyLVTFIBFCPODBTE-UHFFFAOYSA-N
XLogP0.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

epsilon-Methyl-L-lysine
CID 164795
Nepsilon-(Carboxymethyl)lysine
CID 123800
(2S)-2-amino-6-((2,2,2-trifluoroacetyl)amino)hexanoic acid
CID 7009573
Deoxyhypusine
CID 122083
6,6,6-Trifluoro-DL-norleucine
CID 228893
N2-((1R)-1-Carboxyethyl)-L-lysine
CID 193187
L-Lysopine
CID 3325403
Nz-(1-Carboxyethyl)-Lysine
CID 17754073
N-methyllysine
CID 541646
N2-(2,2,2-Trifluoroacetyl)-L-lysine
CID 2802360
5,5-Difluoro-lysine
CID 14656790
2-Amino-6-(2,2,2-trifluoroacetamido)hexanoic acid
CID 3318294

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid?
The IUPAC name of 2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid (CID 129102189) is 2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid.
What is the SMILES notation for 2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid?
The canonical SMILES for 2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid is NC(CCCCNCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid?
The InChIKey is LVTFIBFCPODBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c9-8(10,11)5-13-4-2-1-3-6(12)7(14)15/h6,13H,1-5,12H2,(H,14,15).
What are the key properties of 2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid?
2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid has a molecular weight of 228.21 g/mol, XLogP of 0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid is sourced from PubChem (CID 129102189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).