2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc

C6H10O5Zn — CID 157494220

IUPAC2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc
SMILESCC(O)C(=O)C(C)(O)C(=O)O.[Zn]
InChIInChI=1S/C6H10O5.Zn/c1-3(7)4(8)6(2,11)5(9)10;/h3,7,11H,1-2H3,(H,9,10);
InChIKeyBXQBCBDSICIEOD-UHFFFAOYSA-N
MW227.53 g/mol
LogP-1.23
Rot. Bonds3

About 2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc

2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc (PubChem CID 157494220) has the molecular formula C6H10O5Zn and a molecular weight of 227.53 g/mol. Its IUPAC name is 2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc.

Molecular Properties

Compound Name2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc
PubChem CID157494220
Molecular FormulaC6H10O5Zn
Molecular Weight227.53 g/mol
Exact Mass225.98
IUPAC Name2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc
SMILESCC(O)C(=O)C(C)(O)C(=O)O.[Zn]
InChIInChI=1S/C6H10O5.Zn/c1-3(7)4(8)6(2,11)5(9)10;/h3,7,11H,1-2H3,(H,9,10);
InChIKeyBXQBCBDSICIEOD-UHFFFAOYSA-N
XLogP-1.23
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.53
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-2-(2-hydroxypropanoyl)-4-oxohexanoic acid
CID 18760901
(2S,4S,5S)-2-hydroxy-4-[2-hydroxypropanoyl(methyl)amino]-2,5-dimethyl-3-oxoheptanoic acid
CID 140968568
ethyl 2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate
CID 140539209
2,4-dihydroxy-3-oxo-2-propylpentanoic acid
CID 87885039
2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
CID 159015634
2-hydroxypropanoic acid
CID 87075455
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 173155699
2-hydroxy-2-methylbutanoic acid;propan-2-ol
CID 87318263
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 173088581
dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 174452959
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-methylhexanoic acid
CID 173086648

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc?
The IUPAC name of 2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc (CID 157494220) is 2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc.
What is the SMILES notation for 2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc?
The canonical SMILES for 2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc is CC(O)C(=O)C(C)(O)C(=O)O.[Zn].
What is the InChIKey of 2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc?
The InChIKey is BXQBCBDSICIEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5.Zn/c1-3(7)4(8)6(2,11)5(9)10;/h3,7,11H,1-2H3,(H,9,10);.
What are the key properties of 2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc?
2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc has a molecular weight of 227.53 g/mol, XLogP of -1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-2-methyl-3-oxopentanoic acid;zinc is sourced from PubChem (CID 157494220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).