dipotassium bis((2S)-2,6-diaminohexanoate)

C12H26K2N4O4 — CID 142684658

IUPACdipotassium bis((2S)-2,6-diaminohexanoate)
SMILESNCCCC[C@H](N)C(=O)[O-].NCCCC[C@H](N)C(=O)[O-].[K+].[K+]
InChIInChI=1S/2C6H14N2O2.2K/c2*7-4-2-1-3-5(8)6(9)10;;/h2*5H,1-4,7-8H2,(H,9,10);;/q;;2*+1/p-2/t2*5-;;/m00../s1
InChIKeySYAKCBPBCPJWLD-WUGLXOLRSA-L
MW368.56 g/mol
LogP-9.61
Rot. Bonds10

About dipotassium bis((2S)-2,6-diaminohexanoate)

dipotassium bis((2S)-2,6-diaminohexanoate) (PubChem CID 142684658) has the molecular formula C12H26K2N4O4 and a molecular weight of 368.56 g/mol. Its IUPAC name is dipotassium bis((2S)-2,6-diaminohexanoate).

Molecular Properties

Compound Namedipotassium bis((2S)-2,6-diaminohexanoate)
PubChem CID142684658
Molecular FormulaC12H26K2N4O4
Molecular Weight368.56 g/mol
Exact Mass368.12
IUPAC Namedipotassium bis((2S)-2,6-diaminohexanoate)
SMILESNCCCC[C@H](N)C(=O)[O-].NCCCC[C@H](N)C(=O)[O-].[K+].[K+]
InChIInChI=1S/2C6H14N2O2.2K/c2*7-4-2-1-3-5(8)6(9)10;;/h2*5H,1-4,7-8H2,(H,9,10);;/q;;2*+1/p-2/t2*5-;;/m00../s1
InChIKeySYAKCBPBCPJWLD-WUGLXOLRSA-L
XLogP-9.61
TPSA184.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 5-9.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

lithium (2S)-2,6-diaminohexanoate
CID 87930747
bis(2,6-diaminohexanoate);nickel(2+)
CID 175523935
calcium;(2S)-2,6-diaminohexanoic acid;carbonate
CID 162223236
potassium;(2S)-2,6-diaminohexanoic acid;hydride
CID 173031360
(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
potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride
CID 161346238
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
sodium 2,6-diaminohexanoic acid
CID 18320454

Frequently Asked Questions

What is the IUPAC name of dipotassium bis((2S)-2,6-diaminohexanoate)?
The IUPAC name of dipotassium bis((2S)-2,6-diaminohexanoate) (CID 142684658) is dipotassium bis((2S)-2,6-diaminohexanoate).
What is the SMILES notation for dipotassium bis((2S)-2,6-diaminohexanoate)?
The canonical SMILES for dipotassium bis((2S)-2,6-diaminohexanoate) is NCCCC[C@H](N)C(=O)[O-].NCCCC[C@H](N)C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium bis((2S)-2,6-diaminohexanoate)?
The InChIKey is SYAKCBPBCPJWLD-WUGLXOLRSA-L. The full InChI is InChI=1S/2C6H14N2O2.2K/c2*7-4-2-1-3-5(8)6(9)10;;/h2*5H,1-4,7-8H2,(H,9,10);;/q;;2*+1/p-2/t2*5-;;/m00../s1.
What are the key properties of dipotassium bis((2S)-2,6-diaminohexanoate)?
dipotassium bis((2S)-2,6-diaminohexanoate) has a molecular weight of 368.56 g/mol, XLogP of -9.61, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium bis((2S)-2,6-diaminohexanoate) is sourced from PubChem (CID 142684658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).