lithium (2S)-2,6-diaminohexanoate

C6H13LiN2O2 — CID 87930747

IUPAClithium (2S)-2,6-diaminohexanoate
SMILESNCCCC[C@H](N)C(=O)[O-].[Li+]
InChIInChI=1S/C6H14N2O2.Li/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);/q;+1/p-1/t5-;/m0./s1
InChIKeyZCHFGKHZNMRYRZ-JEDNCBNOSA-M
MW152.12 g/mol
LogP-4.80
Rot. Bonds5

About lithium (2S)-2,6-diaminohexanoate

lithium (2S)-2,6-diaminohexanoate (PubChem CID 87930747) has the molecular formula C6H13LiN2O2 and a molecular weight of 152.12 g/mol. Its IUPAC name is lithium (2S)-2,6-diaminohexanoate.

Molecular Properties

Compound Namelithium (2S)-2,6-diaminohexanoate
PubChem CID87930747
Molecular FormulaC6H13LiN2O2
Molecular Weight152.12 g/mol
Exact Mass152.11
IUPAC Namelithium (2S)-2,6-diaminohexanoate
SMILESNCCCC[C@H](N)C(=O)[O-].[Li+]
InChIInChI=1S/C6H14N2O2.Li/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);/q;+1/p-1/t5-;/m0./s1
InChIKeyZCHFGKHZNMRYRZ-JEDNCBNOSA-M
XLogP-4.80
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-4.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2,6-diaminohexanoate);nickel(2+)
CID 175523935
dipotassium bis((2S)-2,6-diaminohexanoate)
CID 142684658
calcium;(2S)-2,6-diaminohexanoic acid;carbonate
CID 162223236
lithium 2-aminohexanoate
CID 162134290
(2S)-2,6-diaminohexanoate;trimethyl(octadecyl)azanium
CID 162716509
(2S)-2,6-diaminohexanoate;dodecyl(trimethyl)azanium
CID 171776239
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);tris((2S)-2,6-diaminohexanoate);iron(3+)
CID 173057633
diaminomethyl (2S)-2,6-diaminohexanoate
CID 87634064
(2S)-2,6-diaminohexanoic acid;hydrogen sulfate
CID 10377113
(2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate
CID 162033415
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533

Frequently Asked Questions

What is the IUPAC name of lithium (2S)-2,6-diaminohexanoate?
The IUPAC name of lithium (2S)-2,6-diaminohexanoate (CID 87930747) is lithium (2S)-2,6-diaminohexanoate.
What is the SMILES notation for lithium (2S)-2,6-diaminohexanoate?
The canonical SMILES for lithium (2S)-2,6-diaminohexanoate is NCCCC[C@H](N)C(=O)[O-].[Li+].
What is the InChIKey of lithium (2S)-2,6-diaminohexanoate?
The InChIKey is ZCHFGKHZNMRYRZ-JEDNCBNOSA-M. The full InChI is InChI=1S/C6H14N2O2.Li/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);/q;+1/p-1/t5-;/m0./s1.
What are the key properties of lithium (2S)-2,6-diaminohexanoate?
lithium (2S)-2,6-diaminohexanoate has a molecular weight of 152.12 g/mol, XLogP of -4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S)-2,6-diaminohexanoate is sourced from PubChem (CID 87930747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).