magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid)

C16H24K2MgN4O16 — CID 170852732

IUPACmagnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid)
SMILESN[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)[O-])C(=O)[O-].N[C@@H](CC(=O)[O-])C(=O)[O-].[K+].[K+].[Mg+2]
InChIInChI=1S/4C4H7NO4.2K.Mg/c4*5-2(4(8)9)1-3(6)7;;;/h4*2H,1,5H2,(H,6,7)(H,8,9);;;/q;;;;2*+1;+2/p-4/t4*2-;;;/m0000.../s1
InChIKeyLVBRFZFUCKKGDJ-HJWRJIQTSA-J
MW630.88 g/mol
LogP-16.22
Rot. Bonds12

About magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid)

magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid) (PubChem CID 170852732) has the molecular formula C16H24K2MgN4O16 and a molecular weight of 630.88 g/mol. Its IUPAC name is magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid).

Molecular Properties

Compound Namemagnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid)
PubChem CID170852732
Molecular FormulaC16H24K2MgN4O16
Molecular Weight630.88 g/mol
Exact Mass630.03
IUPAC Namemagnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid)
SMILESN[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)[O-])C(=O)[O-].N[C@@H](CC(=O)[O-])C(=O)[O-].[K+].[K+].[Mg+2]
InChIInChI=1S/4C4H7NO4.2K.Mg/c4*5-2(4(8)9)1-3(6)7;;;/h4*2H,1,5H2,(H,6,7)(H,8,9);;;/q;;;;2*+1;+2/p-4/t4*2-;;;/m0000.../s1
InChIKeyLVBRFZFUCKKGDJ-HJWRJIQTSA-J
XLogP-16.22
TPSA413.80 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500630.88
LogP ≤ 5-16.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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Related Compounds

magnesium;dipotassium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);bis((3S)-3-amino-4-hydroxy-4-oxobutanoate)
CID 138395383
2-aminobutanedioate;2-aminobutanedioic acid;zinc;hydrate
CID 159874937
magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086
calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate
CID 140602404
magnesium;bis(2-aminobutanedioate);hydron
CID 78170001
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
2-aminobutanedioate
CID 4519554
calcium;2-aminobutanedioic acid;carbonate
CID 174334285
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601
(2S)-2-aminobutanedioate;silver
CID 87272123
CID 21127296
CID 21127296

Frequently Asked Questions

What is the IUPAC name of magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid)?
The IUPAC name of magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid) (CID 170852732) is magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid).
What is the SMILES notation for magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid)?
The canonical SMILES for magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid) is N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)[O-])C(=O)[O-].N[C@@H](CC(=O)[O-])C(=O)[O-].[K+].[K+].[Mg+2].
What is the InChIKey of magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid)?
The InChIKey is LVBRFZFUCKKGDJ-HJWRJIQTSA-J. The full InChI is InChI=1S/4C4H7NO4.2K.Mg/c4*5-2(4(8)9)1-3(6)7;;;/h4*2H,1,5H2,(H,6,7)(H,8,9);;;/q;;;;2*+1;+2/p-4/t4*2-;;;/m0000.../s1.
What are the key properties of magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid)?
magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid) has a molecular weight of 630.88 g/mol, XLogP of -16.22, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dipotassium;bis((2S)-2-aminobutanedioate);bis((2S)-2-aminobutanedioic acid) is sourced from PubChem (CID 170852732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).