magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate

C10H24MgN2O12 — CID 163198340

IUPACmagnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate
SMILESN[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.[Mg+2]
InChIInChI=1S/2C5H9NO4.Mg.4H2O/c2*6-3(5(9)10)1-2-4(7)8;;;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;4*1H2/q;;+2;;;;/p-2/t2*3-;;;;;/m00...../s1
InChIKeyZWCGDRSVJYJGFY-GYDBBPQESA-L
MW388.61 g/mol
LogP-7.82
Rot. Bonds8

About magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate

magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate (PubChem CID 163198340) has the molecular formula C10H24MgN2O12 and a molecular weight of 388.61 g/mol. Its IUPAC name is magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate.

Molecular Properties

Compound Namemagnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate
PubChem CID163198340
Molecular FormulaC10H24MgN2O12
Molecular Weight388.61 g/mol
Exact Mass388.12
IUPAC Namemagnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate
SMILESN[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.[Mg+2]
InChIInChI=1S/2C5H9NO4.Mg.4H2O/c2*6-3(5(9)10)1-2-4(7)8;;;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;4*1H2/q;;+2;;;;/p-2/t2*3-;;;;;/m00...../s1
InChIKeyZWCGDRSVJYJGFY-GYDBBPQESA-L
XLogP-7.82
TPSA332.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.61
LogP ≤ 5-7.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate
CID 173366777
calcium;bis((4S)-4-amino-5-hydroxy-5-oxopentanoate);tetrahydrate
CID 71310219
strontium;(2S)-2-aminopentanedioate;pentahydrate
CID 172813696
strontium;(2R)-2-aminopentanedioate;hydrate
CID 141288425
tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)
CID 173162315
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
2-aminopentanedioic acid;hexahydrate
CID 173177476
calcium;bis((2S)-2-aminopentanedioate);hydron;tetrahydrate
CID 91826886
(2S)-2-aminopentanedioate;nickel(2+)
CID 87532151
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619

Frequently Asked Questions

What is the IUPAC name of magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate?
The IUPAC name of magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate (CID 163198340) is magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate.
What is the SMILES notation for magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate?
The canonical SMILES for magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate is N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.[Mg+2].
What is the InChIKey of magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate?
The InChIKey is ZWCGDRSVJYJGFY-GYDBBPQESA-L. The full InChI is InChI=1S/2C5H9NO4.Mg.4H2O/c2*6-3(5(9)10)1-2-4(7)8;;;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;4*1H2/q;;+2;;;;/p-2/t2*3-;;;;;/m00...../s1.
What are the key properties of magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate?
magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate has a molecular weight of 388.61 g/mol, XLogP of -7.82, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate is sourced from PubChem (CID 163198340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).