magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)

C8H16MgN2O6 — CID 156579837

IUPACmagnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)
SMILESC[C@@H](O)[C@H](N)C(=O)[O-].C[C@@H](O)[C@H](N)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C4H9NO3.Mg/c2*1-2(6)3(5)4(7)8;/h2*2-3,6H,5H2,1H3,(H,7,8);/q;;+2/p-2/t2*2-,3+;/m11./s1
InChIKeyJCNLTQYJHYHWEY-PZXRSRGQSA-L
MW260.53 g/mol
LogP-5.49
Rot. Bonds4

About magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)

magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate) (PubChem CID 156579837) has the molecular formula C8H16MgN2O6 and a molecular weight of 260.53 g/mol. Its IUPAC name is magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate).

Molecular Properties

Compound Namemagnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)
PubChem CID156579837
Molecular FormulaC8H16MgN2O6
Molecular Weight260.53 g/mol
Exact Mass260.09
IUPAC Namemagnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)
SMILESC[C@@H](O)[C@H](N)C(=O)[O-].C[C@@H](O)[C@H](N)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C4H9NO3.Mg/c2*1-2(6)3(5)4(7)8;/h2*2-3,6H,5H2,1H3,(H,7,8);/q;;+2/p-2/t2*2-,3+;/m11./s1
InChIKeyJCNLTQYJHYHWEY-PZXRSRGQSA-L
XLogP-5.49
TPSA172.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.53
LogP ≤ 5-5.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)
CID 175941555
copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)
CID 22828914
2-amino-3-methylbutanoate
CID 5460778
bismuth tris(2-amino-3-methylbutanoate)
CID 173224363
(2S)-2-aminopropanoate
CID 5460980
disodium;2,3-diaminobutanedioate
CID 87704477
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
potassium 2-aminopropanoate
CID 21339510
bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208
magnesium;bis(2-hydroxypropanoate);hexahydrate
CID 172783503
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052

Frequently Asked Questions

What is the IUPAC name of magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)?
The IUPAC name of magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate) (CID 156579837) is magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate).
What is the SMILES notation for magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)?
The canonical SMILES for magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate) is C[C@@H](O)[C@H](N)C(=O)[O-].C[C@@H](O)[C@H](N)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)?
The InChIKey is JCNLTQYJHYHWEY-PZXRSRGQSA-L. The full InChI is InChI=1S/2C4H9NO3.Mg/c2*1-2(6)3(5)4(7)8;/h2*2-3,6H,5H2,1H3,(H,7,8);/q;;+2/p-2/t2*2-,3+;/m11./s1.
What are the key properties of magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)?
magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate) has a molecular weight of 260.53 g/mol, XLogP of -5.49, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate) is sourced from PubChem (CID 156579837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).