calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc

C9H21CaCuMgNO5Zn — CID 174492859

IUPACcalcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.[Ca+2].[Cu].[H-].[H-].[H-].[H-].[Mg+2].[Zn]
InChIInChI=1S/C9H17NO5.Ca.Cu.Mg.Zn.4H/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;;;;;;;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;;;;;;;/q;+2;;+2;;4*-1/t7-;;;;;;;;/m0......../s1
InChIKeyJVUIMZXZICWMBX-BDCDBUJESA-N
MW416.59 g/mol
LogP-1.36
Rot. Bonds6

About calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc

calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc (PubChem CID 174492859) has the molecular formula C9H21CaCuMgNO5Zn and a molecular weight of 416.59 g/mol. Its IUPAC name is calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc.

Molecular Properties

Compound Namecalcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc
PubChem CID174492859
Molecular FormulaC9H21CaCuMgNO5Zn
Molecular Weight416.59 g/mol
Exact Mass413.95
IUPAC Namecalcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.[Ca+2].[Cu].[H-].[H-].[H-].[H-].[Mg+2].[Zn]
InChIInChI=1S/C9H17NO5.Ca.Cu.Mg.Zn.4H/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;;;;;;;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;;;;;;;/q;+2;;+2;;4*-1/t7-;;;;;;;;/m0......../s1
InChIKeyJVUIMZXZICWMBX-BDCDBUJESA-N
XLogP-1.36
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc with MolForge

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Related Compounds

tricalcium;bis(3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid);bis(oxygen(2-))
CID 173212028
lithium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 174739358
sodium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 172998146
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
CID 174763260
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydrochloride
CID 155803311
CID 172837539
CID 172837539
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;gold
CID 176912960
acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
CID 129285625
calcium;bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate);3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
CID 173090351
dicalcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate;hydride
CID 173070282

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc?
The IUPAC name of calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc (CID 174492859) is calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc.
What is the SMILES notation for calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc?
The canonical SMILES for calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc is CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.[Ca+2].[Cu].[H-].[H-].[H-].[H-].[Mg+2].[Zn].
What is the InChIKey of calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc?
The InChIKey is JVUIMZXZICWMBX-BDCDBUJESA-N. The full InChI is InChI=1S/C9H17NO5.Ca.Cu.Mg.Zn.4H/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;;;;;;;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;;;;;;;/q;+2;;+2;;4*-1/t7-;;;;;;;;/m0......../s1.
What are the key properties of calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc?
calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc has a molecular weight of 416.59 g/mol, XLogP of -1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc is sourced from PubChem (CID 174492859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).