cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid

C5H10CoO4 — CID 174867740

IUPACcobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
SMILESCC(CO)(CO)C(=O)O.[Co]
InChIInChI=1S/C5H10O4.Co/c1-5(2-6,3-7)4(8)9;/h6-7H,2-3H2,1H3,(H,8,9);
InChIKeyJXKQRABJHBYFLD-UHFFFAOYSA-N
MW193.06 g/mol
LogP-0.94
Rot. Bonds3

About cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid

cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid (PubChem CID 174867740) has the molecular formula C5H10CoO4 and a molecular weight of 193.06 g/mol. Its IUPAC name is cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid.

Molecular Properties

Compound Namecobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
PubChem CID174867740
Molecular FormulaC5H10CoO4
Molecular Weight193.06 g/mol
Exact Mass192.99
IUPAC Namecobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
SMILESCC(CO)(CO)C(=O)O.[Co]
InChIInChI=1S/C5H10O4.Co/c1-5(2-6,3-7)4(8)9;/h6-7H,2-3H2,1H3,(H,8,9);
InChIKeyJXKQRABJHBYFLD-UHFFFAOYSA-N
XLogP-0.94
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane
CID 87556675
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
(2-carboxy-1-hydroxypropan-2-yl)azanium
CID 163480089
2,2-bis(hydroxymethyl)propane-1,3-diol;hexanedioic acid;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;octadecanoic acid
CID 86747076
N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid
CID 173066530
3-hydroxy-2,2-dimethylpropanoic acid;silver
CID 87183588
strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)
CID 22289759
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
CID 133065164
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);2,2,3-trimethylbutanoic acid
CID 159916720
tetrakis(2,2-dimethylpropane-1,1-diol);bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid);nonadecanethioic S-acid
CID 173452305

Frequently Asked Questions

What is the IUPAC name of cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid?
The IUPAC name of cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid (CID 174867740) is cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid.
What is the SMILES notation for cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid?
The canonical SMILES for cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid is CC(CO)(CO)C(=O)O.[Co].
What is the InChIKey of cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid?
The InChIKey is JXKQRABJHBYFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4.Co/c1-5(2-6,3-7)4(8)9;/h6-7H,2-3H2,1H3,(H,8,9);.
What are the key properties of cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid?
cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid has a molecular weight of 193.06 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid is sourced from PubChem (CID 174867740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).