magnesium;(2S)-2-aminobutanedioate;hydrochloride

C4H6ClMgNO4 — CID 11593581

IUPACmagnesium;(2S)-2-aminobutanedioate;hydrochloride
SMILESCl.N[C@@H](CC(=O)[O-])C(=O)[O-].[Mg+2]
InChIInChI=1S/C4H7NO4.ClH.Mg/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;+2/p-2/t2-;;/m0../s1
InChIKeyQYOBXHXZJRPWDE-JIZZDEOASA-L
MW191.85 g/mol
LogP-3.76
Rot. Bonds3

About magnesium;(2S)-2-aminobutanedioate;hydrochloride

magnesium;(2S)-2-aminobutanedioate;hydrochloride (PubChem CID 11593581) has the molecular formula C4H6ClMgNO4 and a molecular weight of 191.85 g/mol. Its IUPAC name is magnesium;(2S)-2-aminobutanedioate;hydrochloride.

Molecular Properties

Compound Namemagnesium;(2S)-2-aminobutanedioate;hydrochloride
PubChem CID11593581
Molecular FormulaC4H6ClMgNO4
Molecular Weight191.85 g/mol
Exact Mass190.98
IUPAC Namemagnesium;(2S)-2-aminobutanedioate;hydrochloride
SMILESCl.N[C@@H](CC(=O)[O-])C(=O)[O-].[Mg+2]
InChIInChI=1S/C4H7NO4.ClH.Mg/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;+2/p-2/t2-;;/m0../s1
InChIKeyQYOBXHXZJRPWDE-JIZZDEOASA-L
XLogP-3.76
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.85
LogP ≤ 5-3.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of magnesium;(2S)-2-aminobutanedioate;hydrochloride?
The IUPAC name of magnesium;(2S)-2-aminobutanedioate;hydrochloride (CID 11593581) is magnesium;(2S)-2-aminobutanedioate;hydrochloride.
What is the SMILES notation for magnesium;(2S)-2-aminobutanedioate;hydrochloride?
The canonical SMILES for magnesium;(2S)-2-aminobutanedioate;hydrochloride is Cl.N[C@@H](CC(=O)[O-])C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium;(2S)-2-aminobutanedioate;hydrochloride?
The InChIKey is QYOBXHXZJRPWDE-JIZZDEOASA-L. The full InChI is InChI=1S/C4H7NO4.ClH.Mg/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;+2/p-2/t2-;;/m0../s1.
What are the key properties of magnesium;(2S)-2-aminobutanedioate;hydrochloride?
magnesium;(2S)-2-aminobutanedioate;hydrochloride has a molecular weight of 191.85 g/mol, XLogP of -3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2S)-2-aminobutanedioate;hydrochloride is sourced from PubChem (CID 11593581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).