magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc

C4H9MgNO4Zn — CID 174993846

IUPACmagnesium;(2S)-2-aminobutanedioic acid;hydride;zinc
SMILESN[C@@H](CC(=O)O)C(=O)O.[H-].[H-].[Mg+2].[Zn]
InChIInChI=1S/C4H7NO4.Mg.Zn.2H/c5-2(4(8)9)1-3(6)7;;;;/h2H,1,5H2,(H,6,7)(H,8,9);;;;/q;+2;;2*-1/t2-;;;;/m0..../s1
InChIKeyNWSAUOMBPXDUOC-AIDJSRAFSA-N
MW224.81 g/mol
LogP-1.29
Rot. Bonds3

About magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc

magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc (PubChem CID 174993846) has the molecular formula C4H9MgNO4Zn and a molecular weight of 224.81 g/mol. Its IUPAC name is magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc.

Molecular Properties

Compound Namemagnesium;(2S)-2-aminobutanedioic acid;hydride;zinc
PubChem CID174993846
Molecular FormulaC4H9MgNO4Zn
Molecular Weight224.81 g/mol
Exact Mass222.97
IUPAC Namemagnesium;(2S)-2-aminobutanedioic acid;hydride;zinc
SMILESN[C@@H](CC(=O)O)C(=O)O.[H-].[H-].[Mg+2].[Zn]
InChIInChI=1S/C4H7NO4.Mg.Zn.2H/c5-2(4(8)9)1-3(6)7;;;;/h2H,1,5H2,(H,6,7)(H,8,9);;;;/q;+2;;2*-1/t2-;;;;/m0..../s1
InChIKeyNWSAUOMBPXDUOC-AIDJSRAFSA-N
XLogP-1.29
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.81
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 172728144
CID 172728144
(2R)-2-aminobutanedioic acid;zinc;hydrate
CID 156758175
strontium;2-aminobutanedioic acid;hydride
CID 174538201
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
2-aminobutanedioic acid;selane
CID 174828111
CID 131864134
CID 131864134
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
2-aminobutanedioic acid;molybdenum
CID 76550864
2-aminobutanedioic acid;carbamic acid
CID 87364941

Frequently Asked Questions

What is the IUPAC name of magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc?
The IUPAC name of magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc (CID 174993846) is magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc.
What is the SMILES notation for magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc?
The canonical SMILES for magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc is N[C@@H](CC(=O)O)C(=O)O.[H-].[H-].[Mg+2].[Zn].
What is the InChIKey of magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc?
The InChIKey is NWSAUOMBPXDUOC-AIDJSRAFSA-N. The full InChI is InChI=1S/C4H7NO4.Mg.Zn.2H/c5-2(4(8)9)1-3(6)7;;;;/h2H,1,5H2,(H,6,7)(H,8,9);;;;/q;+2;;2*-1/t2-;;;;/m0..../s1.
What are the key properties of magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc?
magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc has a molecular weight of 224.81 g/mol, XLogP of -1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc is sourced from PubChem (CID 174993846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).