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

C8H15F3N2O2 — CID 100914511

IUPAC(2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid
SMILESN[C@@H](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)/t6-/m0/s1
InChIKeyLVTFIBFCPODBTE-LURJTMIESA-N
MW228.21 g/mol
LogP0.72
Rot. Bonds7

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

(2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid (PubChem CID 100914511) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is (2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid
PubChem CID100914511
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name(2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid
SMILESN[C@@H](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)/t6-/m0/s1
InChIKeyLVTFIBFCPODBTE-LURJTMIESA-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

(2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid
CID 88581012
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-amino-6-(3-methylbutylamino)hexanoic acid
CID 90718970
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-6-(phosphanylamino)hexanoic acid
CID 58918471
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
(2S)-2-amino-6-(2-methylbutylamino)hexanoic acid
CID 89009383
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid
CID 11641210
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid (CID 100914511) is (2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid is N[C@@H](CCCCNCC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid?
The InChIKey is LVTFIBFCPODBTE-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid?
(2S)-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 (2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid is sourced from PubChem (CID 100914511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).