dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate)

C16H32K2N6O6 — CID 140985784

IUPACdipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate)
SMILESNCCCC[C@H](NC(=O)CN)C(=O)[O-].NCCCC[C@H](NC(=O)CN)C(=O)[O-].[K+].[K+]
InChIInChI=1S/2C8H17N3O3.2K/c2*9-4-2-1-3-6(8(13)14)11-7(12)5-10;;/h2*6H,1-5,9-10H2,(H,11,12)(H,13,14);;/q;;2*+1/p-2/t2*6-;;/m00../s1
InChIKeyKIOFBGNEFNSNOC-YVXDRTILSA-L
MW482.66 g/mol
LogP-11.37
Rot. Bonds14

About dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate)

dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate) (PubChem CID 140985784) has the molecular formula C16H32K2N6O6 and a molecular weight of 482.66 g/mol. Its IUPAC name is dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate).

Molecular Properties

Compound Namedipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate)
PubChem CID140985784
Molecular FormulaC16H32K2N6O6
Molecular Weight482.66 g/mol
Exact Mass482.17
IUPAC Namedipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate)
SMILESNCCCC[C@H](NC(=O)CN)C(=O)[O-].NCCCC[C@H](NC(=O)CN)C(=O)[O-].[K+].[K+]
InChIInChI=1S/2C8H17N3O3.2K/c2*9-4-2-1-3-6(8(13)14)11-7(12)5-10;;/h2*6H,1-5,9-10H2,(H,11,12)(H,13,14);;/q;;2*+1/p-2/t2*6-;;/m00../s1
InChIKeyKIOFBGNEFNSNOC-YVXDRTILSA-L
XLogP-11.37
TPSA242.54 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.66
LogP ≤ 5-11.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
potassium (2S)-6-amino-2-(7-carboxyheptanoylamino)hexanoate
CID 118533382
zinc bis((2S)-6-amino-2-(dodecanoylamino)hexanoate)
CID 157255279
(4S)-8-amino-4-[(2-aminoacetyl)amino]-2-(2-aminoethyl)-3-oxooctanoic acid
CID 141423979
sodium (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 141479931
2-[(2-aminoacetyl)amino]butanedioate
CID 22257641
copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate
CID 10251304
2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-3-hydroxypropanoic acid
CID 18221080
4-amino-2-[[4-amino-2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 18489113
(2S)-6-amino-2-(3-oxobutanoylamino)hexanoic acid
CID 166492381
(2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid
CID 145455653
5-amino-2-[[6-amino-2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
CID 23290697

Frequently Asked Questions

What is the IUPAC name of dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate)?
The IUPAC name of dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate) (CID 140985784) is dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate).
What is the SMILES notation for dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate)?
The canonical SMILES for dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate) is NCCCC[C@H](NC(=O)CN)C(=O)[O-].NCCCC[C@H](NC(=O)CN)C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate)?
The InChIKey is KIOFBGNEFNSNOC-YVXDRTILSA-L. The full InChI is InChI=1S/2C8H17N3O3.2K/c2*9-4-2-1-3-6(8(13)14)11-7(12)5-10;;/h2*6H,1-5,9-10H2,(H,11,12)(H,13,14);;/q;;2*+1/p-2/t2*6-;;/m00../s1.
What are the key properties of dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate)?
dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate) has a molecular weight of 482.66 g/mol, XLogP of -11.37, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium bis((2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoate) is sourced from PubChem (CID 140985784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).