magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride

C5H11Cl2MgNO2 — CID 159678853

IUPACmagnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
SMILESCC(C)[C@H](N)C(=O)O.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C5H11NO2.2ClH.Mg/c1-3(2)4(6)5(7)8;;;/h3-4H,6H2,1-2H3,(H,7,8);2*1H;/q;;;+2/p-2/t4-;;;/m0.../s1
InChIKeyMUYNNKBJRDPFMP-WJXVXWFNSA-L
MW212.36 g/mol
LogP-6.32
Rot. Bonds2

About magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride

magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride (PubChem CID 159678853) has the molecular formula C5H11Cl2MgNO2 and a molecular weight of 212.36 g/mol. Its IUPAC name is magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride.

Molecular Properties

Compound Namemagnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
PubChem CID159678853
Molecular FormulaC5H11Cl2MgNO2
Molecular Weight212.36 g/mol
Exact Mass211.00
IUPAC Namemagnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
SMILESCC(C)[C@H](N)C(=O)O.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C5H11NO2.2ClH.Mg/c1-3(2)4(6)5(7)8;;;/h3-4H,6H2,1-2H3,(H,7,8);2*1H;/q;;;+2/p-2/t4-;;;/m0.../s1
InChIKeyMUYNNKBJRDPFMP-WJXVXWFNSA-L
XLogP-6.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 5-6.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
magnesium;2-amino-3-methylbutanoic acid;sulfate
CID 87981474
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
(2S)-2-amino-3-methylbutanoic acid;formic acid
CID 160949818

Frequently Asked Questions

What is the IUPAC name of magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride?
The IUPAC name of magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride (CID 159678853) is magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride.
What is the SMILES notation for magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride?
The canonical SMILES for magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride is CC(C)[C@H](N)C(=O)O.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride?
The InChIKey is MUYNNKBJRDPFMP-WJXVXWFNSA-L. The full InChI is InChI=1S/C5H11NO2.2ClH.Mg/c1-3(2)4(6)5(7)8;;;/h3-4H,6H2,1-2H3,(H,7,8);2*1H;/q;;;+2/p-2/t4-;;;/m0.../s1.
What are the key properties of magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride?
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride has a molecular weight of 212.36 g/mol, XLogP of -6.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride is sourced from PubChem (CID 159678853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).