potassium;(2S)-2,6-diaminohexanoic acid;hydride

C6H15KN2O2 — CID 173031360

IUPACpotassium;(2S)-2,6-diaminohexanoic acid;hydride
SMILESNCCCC[C@H](N)C(=O)O.[H-].[K+]
InChIInChI=1S/C6H14N2O2.K.H/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);;/q;+1;-1/t5-;;/m0../s1
InChIKeyJCTIYAPJBFYUML-XRIGFGBMSA-N
MW186.30 g/mol
LogP-3.36
Rot. Bonds5

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

potassium;(2S)-2,6-diaminohexanoic acid;hydride (PubChem CID 173031360) has the molecular formula C6H15KN2O2 and a molecular weight of 186.30 g/mol. Its IUPAC name is potassium;(2S)-2,6-diaminohexanoic acid;hydride.

Molecular Properties

Compound Namepotassium;(2S)-2,6-diaminohexanoic acid;hydride
PubChem CID173031360
Molecular FormulaC6H15KN2O2
Molecular Weight186.30 g/mol
Exact Mass186.08
IUPAC Namepotassium;(2S)-2,6-diaminohexanoic acid;hydride
SMILESNCCCC[C@H](N)C(=O)O.[H-].[K+]
InChIInChI=1S/C6H14N2O2.K.H/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);;/q;+1;-1/t5-;;/m0../s1
InChIKeyJCTIYAPJBFYUML-XRIGFGBMSA-N
XLogP-3.36
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-3.36
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

2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride
CID 161346238
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206

Frequently Asked Questions

What is the IUPAC name of potassium;(2S)-2,6-diaminohexanoic acid;hydride?
The IUPAC name of potassium;(2S)-2,6-diaminohexanoic acid;hydride (CID 173031360) is potassium;(2S)-2,6-diaminohexanoic acid;hydride.
What is the SMILES notation for potassium;(2S)-2,6-diaminohexanoic acid;hydride?
The canonical SMILES for potassium;(2S)-2,6-diaminohexanoic acid;hydride is NCCCC[C@H](N)C(=O)O.[H-].[K+].
What is the InChIKey of potassium;(2S)-2,6-diaminohexanoic acid;hydride?
The InChIKey is JCTIYAPJBFYUML-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H14N2O2.K.H/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);;/q;+1;-1/t5-;;/m0../s1.
What are the key properties of potassium;(2S)-2,6-diaminohexanoic acid;hydride?
potassium;(2S)-2,6-diaminohexanoic acid;hydride has a molecular weight of 186.30 g/mol, XLogP of -3.36, 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;hydride is sourced from PubChem (CID 173031360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).