potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride

C6H15Cl2KN2O2 — CID 161346238

IUPACpotassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride
SMILESCl.NCCCC[C@H](N)C(=O)O.[Cl-].[K+]
InChIInChI=1S/C6H14N2O2.2ClH.K/c7-4-2-1-3-5(8)6(9)10;;;/h5H,1-4,7-8H2,(H,9,10);2*1H;/q;;;+1/p-1/t5-;;;/m0.../s1
InChIKeyVNIFETSHLUSUFZ-BHRFRFAJSA-M
MW257.20 g/mol
LogP-6.04
Rot. Bonds5

About potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride

potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride (PubChem CID 161346238) has the molecular formula C6H15Cl2KN2O2 and a molecular weight of 257.20 g/mol. Its IUPAC name is potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride.

Molecular Properties

Compound Namepotassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride
PubChem CID161346238
Molecular FormulaC6H15Cl2KN2O2
Molecular Weight257.20 g/mol
Exact Mass256.01
IUPAC Namepotassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride
SMILESCl.NCCCC[C@H](N)C(=O)O.[Cl-].[K+]
InChIInChI=1S/C6H14N2O2.2ClH.K/c7-4-2-1-3-5(8)6(9)10;;;/h5H,1-4,7-8H2,(H,9,10);2*1H;/q;;;+1/p-1/t5-;;;/m0.../s1
InChIKeyVNIFETSHLUSUFZ-BHRFRFAJSA-M
XLogP-6.04
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 5-6.04
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

tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533
(2S)-2,6-diaminohexanoic acid;hydron;dichloride
CID 45382156
2,6-diaminohexanoic acid;hydron;chloride
CID 53394783
2,6-diaminohexanoic acid;zinc;hydrochloride
CID 88512669
tris((2S)-2,6-diaminohexanoic acid);iron(3+);trichloride
CID 10326246
sodium;2,6-diaminohexanoic acid;chloride
CID 175575487
2,6-diaminohexanoic acid;methane;hydrochloride
CID 175503313
potassium;(2S)-2,6-diaminohexanoic acid;hydride
CID 173031360
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004

Frequently Asked Questions

What is the IUPAC name of potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride?
The IUPAC name of potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride (CID 161346238) is potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride.
What is the SMILES notation for potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride?
The canonical SMILES for potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride is Cl.NCCCC[C@H](N)C(=O)O.[Cl-].[K+].
What is the InChIKey of potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride?
The InChIKey is VNIFETSHLUSUFZ-BHRFRFAJSA-M. The full InChI is InChI=1S/C6H14N2O2.2ClH.K/c7-4-2-1-3-5(8)6(9)10;;;/h5H,1-4,7-8H2,(H,9,10);2*1H;/q;;;+1/p-1/t5-;;;/m0.../s1.
What are the key properties of potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride?
potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride has a molecular weight of 257.20 g/mol, XLogP of -6.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride is sourced from PubChem (CID 161346238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).