lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride

C8H14F3LiN2O3 — CID 174851964

IUPAClithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride
SMILESNCCCC[C@H](NC(=O)C(F)(F)F)C(=O)O.[H-].[Li+]
InChIInChI=1S/C8H13F3N2O3.Li.H/c9-8(10,11)7(16)13-5(6(14)15)3-1-2-4-12;;/h5H,1-4,12H2,(H,13,16)(H,14,15);;/q;+1;-1/t5-;;/m0../s1
InChIKeyDSFPUIWLWSZQKM-XRIGFGBMSA-N
MW250.15 g/mol
LogP-2.64
Rot. Bonds6

About lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride

lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride (PubChem CID 174851964) has the molecular formula C8H14F3LiN2O3 and a molecular weight of 250.15 g/mol. Its IUPAC name is lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride.

Molecular Properties

Compound Namelithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride
PubChem CID174851964
Molecular FormulaC8H14F3LiN2O3
Molecular Weight250.15 g/mol
Exact Mass250.11
IUPAC Namelithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride
SMILESNCCCC[C@H](NC(=O)C(F)(F)F)C(=O)O.[H-].[Li+]
InChIInChI=1S/C8H13F3N2O3.Li.H/c9-8(10,11)7(16)13-5(6(14)15)3-1-2-4-12;;/h5H,1-4,12H2,(H,13,16)(H,14,15);;/q;+1;-1/t5-;;/m0../s1
InChIKeyDSFPUIWLWSZQKM-XRIGFGBMSA-N
XLogP-2.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 5-2.64
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

6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;tetramethylazanium
CID 174851283
sodium (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 141479931
(2S)-4-[[(3S)-3-carboxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 11271129
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
benzyl (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 86612160
(2S)-6-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid
CID 175821686
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
6-amino-2-(2-oxopropanoylamino)hexanoic acid
CID 87246065
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
6-amino-2-(6-aminohexanoylamino)hexanoic acid
CID 19028400
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
CID 166999411

Frequently Asked Questions

What is the IUPAC name of lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride?
The IUPAC name of lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride (CID 174851964) is lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride.
What is the SMILES notation for lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride?
The canonical SMILES for lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride is NCCCC[C@H](NC(=O)C(F)(F)F)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride?
The InChIKey is DSFPUIWLWSZQKM-XRIGFGBMSA-N. The full InChI is InChI=1S/C8H13F3N2O3.Li.H/c9-8(10,11)7(16)13-5(6(14)15)3-1-2-4-12;;/h5H,1-4,12H2,(H,13,16)(H,14,15);;/q;+1;-1/t5-;;/m0../s1.
What are the key properties of lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride?
lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride has a molecular weight of 250.15 g/mol, XLogP of -2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride is sourced from PubChem (CID 174851964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).