magnesium;bis(2-aminobutanedioate);hydron

C8H12MgN2O8 — CID 78170001

IUPACmagnesium;bis(2-aminobutanedioate);hydron
SMILESNC(CC(=O)[O-])C(=O)[O-].NC(CC(=O)[O-])C(=O)[O-].[H+].[H+].[Mg+2]
InChIInChI=1S/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2
InChIKeyRXMQCXCANMAVIO-UHFFFAOYSA-L
MW288.50 g/mol
LogP-7.75
Rot. Bonds6

About magnesium;bis(2-aminobutanedioate);hydron

magnesium;bis(2-aminobutanedioate);hydron (PubChem CID 78170001) has the molecular formula C8H12MgN2O8 and a molecular weight of 288.50 g/mol. Its IUPAC name is magnesium;bis(2-aminobutanedioate);hydron.

Molecular Properties

Compound Namemagnesium;bis(2-aminobutanedioate);hydron
PubChem CID78170001
Molecular FormulaC8H12MgN2O8
Molecular Weight288.50 g/mol
Exact Mass288.04
IUPAC Namemagnesium;bis(2-aminobutanedioate);hydron
SMILESNC(CC(=O)[O-])C(=O)[O-].NC(CC(=O)[O-])C(=O)[O-].[H+].[H+].[Mg+2]
InChIInChI=1S/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2
InChIKeyRXMQCXCANMAVIO-UHFFFAOYSA-L
XLogP-7.75
TPSA212.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 5-7.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086
calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate
CID 140602404
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
2-aminobutanedioate
CID 4519554
CID 21127296
CID 21127296
dicesium;(2S)-2-aminobutanedioate
CID 11639845
disodium;2-aminobutanedioate
CID 172873588
(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;bis(2-aminobutanedioate);hydron?
The IUPAC name of magnesium;bis(2-aminobutanedioate);hydron (CID 78170001) is magnesium;bis(2-aminobutanedioate);hydron.
What is the SMILES notation for magnesium;bis(2-aminobutanedioate);hydron?
The canonical SMILES for magnesium;bis(2-aminobutanedioate);hydron is NC(CC(=O)[O-])C(=O)[O-].NC(CC(=O)[O-])C(=O)[O-].[H+].[H+].[Mg+2].
What is the InChIKey of magnesium;bis(2-aminobutanedioate);hydron?
The InChIKey is RXMQCXCANMAVIO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2.
What are the key properties of magnesium;bis(2-aminobutanedioate);hydron?
magnesium;bis(2-aminobutanedioate);hydron has a molecular weight of 288.50 g/mol, XLogP of -7.75, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(2-aminobutanedioate);hydron is sourced from PubChem (CID 78170001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).