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

C8H10K2MgN2O8 — CID 12049086

IUPACmagnesium;dipotassium;bis((2S)-2-aminobutanedioate)
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].N[C@@H](CC(=O)[O-])C(=O)[O-].[K+].[K+].[Mg+2]
InChIInChI=1S/2C4H7NO4.2K.Mg/c2*5-2(4(8)9)1-3(6)7;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;;/q;;2*+1;+2/p-4/t2*2-;;;/m00.../s1
InChIKeyZAUDAOGRLDECRF-PXYKVGKMSA-J
MW364.68 g/mol
LogP-13.97
Rot. Bonds6

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

magnesium;dipotassium;bis((2S)-2-aminobutanedioate) (PubChem CID 12049086) has the molecular formula C8H10K2MgN2O8 and a molecular weight of 364.68 g/mol. Its IUPAC name is magnesium;dipotassium;bis((2S)-2-aminobutanedioate).

Molecular Properties

Compound Namemagnesium;dipotassium;bis((2S)-2-aminobutanedioate)
PubChem CID12049086
Molecular FormulaC8H10K2MgN2O8
Molecular Weight364.68 g/mol
Exact Mass363.96
IUPAC Namemagnesium;dipotassium;bis((2S)-2-aminobutanedioate)
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].N[C@@H](CC(=O)[O-])C(=O)[O-].[K+].[K+].[Mg+2]
InChIInChI=1S/2C4H7NO4.2K.Mg/c2*5-2(4(8)9)1-3(6)7;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;;/q;;2*+1;+2/p-4/t2*2-;;;/m00.../s1
InChIKeyZAUDAOGRLDECRF-PXYKVGKMSA-J
XLogP-13.97
TPSA212.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.68
LogP ≤ 5-13.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

magnesium;bis(2-aminobutanedioate);hydron
CID 78170001
calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate
CID 140602404
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
2-aminobutanedioate
CID 4519554
CID 21127296
CID 21127296
disodium;2-aminobutanedioate
CID 172873588
dicesium;(2S)-2-aminobutanedioate
CID 11639845
(2S)-2-aminobutanedioate;silver
CID 87272123
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601
calcium;(2S)-2-aminobutanedioate;trihydrate
CID 139890017
(2S)-2-aminobutanedioate;manganese(2+);hydrochloride
CID 88636151

Frequently Asked Questions

What is the IUPAC name of magnesium;dipotassium;bis((2S)-2-aminobutanedioate)?
The IUPAC name of magnesium;dipotassium;bis((2S)-2-aminobutanedioate) (CID 12049086) is magnesium;dipotassium;bis((2S)-2-aminobutanedioate).
What is the SMILES notation for magnesium;dipotassium;bis((2S)-2-aminobutanedioate)?
The canonical SMILES for magnesium;dipotassium;bis((2S)-2-aminobutanedioate) is 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)?
The InChIKey is ZAUDAOGRLDECRF-PXYKVGKMSA-J. The full InChI is InChI=1S/2C4H7NO4.2K.Mg/c2*5-2(4(8)9)1-3(6)7;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;;/q;;2*+1;+2/p-4/t2*2-;;;/m00.../s1.
What are the key properties of magnesium;dipotassium;bis((2S)-2-aminobutanedioate)?
magnesium;dipotassium;bis((2S)-2-aminobutanedioate) has a molecular weight of 364.68 g/mol, XLogP of -13.97, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dipotassium;bis((2S)-2-aminobutanedioate) is sourced from PubChem (CID 12049086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).