magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride

C5H12ClMgNO4 — CID 173441751

IUPACmagnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride
SMILESCl.N[C@@H](CCC(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H9NO4.ClH.Mg.2H/c6-3(5(9)10)1-2-4(7)8;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H;;;/q;;+2;2*-1/t3-;;;;/m0..../s1
InChIKeyGUEALTXYQRENKK-QVTWQEFQSA-N
MW209.91 g/mol
LogP-0.47
Rot. Bonds4

About magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride

magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride (PubChem CID 173441751) has the molecular formula C5H12ClMgNO4 and a molecular weight of 209.91 g/mol. Its IUPAC name is magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride.

Molecular Properties

Compound Namemagnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride
PubChem CID173441751
Molecular FormulaC5H12ClMgNO4
Molecular Weight209.91 g/mol
Exact Mass209.03
IUPAC Namemagnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride
SMILESCl.N[C@@H](CCC(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H9NO4.ClH.Mg.2H/c6-3(5(9)10)1-2-4(7)8;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H;;;/q;;+2;2*-1/t3-;;;;/m0..../s1
InChIKeyGUEALTXYQRENKK-QVTWQEFQSA-N
XLogP-0.47
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.91
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
sodium;(2R)-2-aminopentanedioic acid;hydride
CID 172998244
potassium;2-aminopentanedioic acid;hydride
CID 173070457
2-aminopentanedioic acid
CID 611
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
CID 173032516
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212

Frequently Asked Questions

What is the IUPAC name of magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride?
The IUPAC name of magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride (CID 173441751) is magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride.
What is the SMILES notation for magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride?
The canonical SMILES for magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride is Cl.N[C@@H](CCC(=O)O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride?
The InChIKey is GUEALTXYQRENKK-QVTWQEFQSA-N. The full InChI is InChI=1S/C5H9NO4.ClH.Mg.2H/c6-3(5(9)10)1-2-4(7)8;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H;;;/q;;+2;2*-1/t3-;;;;/m0..../s1.
What are the key properties of magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride?
magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride has a molecular weight of 209.91 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride is sourced from PubChem (CID 173441751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).