potassium 3,3-dihydroxy-2-methylpropanoate

C4H7KO4 — CID 175445001

IUPACpotassium 3,3-dihydroxy-2-methylpropanoate
SMILESCC(C(=O)[O-])C(O)O.[K+]
InChIInChI=1S/C4H8O4.K/c1-2(3(5)6)4(7)8;/h2-3,5-6H,1H3,(H,7,8);/q;+1/p-1
InChIKeyWLBYHGPRBGONSN-UHFFFAOYSA-M
MW158.19 g/mol
LogP-5.31
Rot. Bonds2

About potassium 3,3-dihydroxy-2-methylpropanoate

potassium 3,3-dihydroxy-2-methylpropanoate (PubChem CID 175445001) has the molecular formula C4H7KO4 and a molecular weight of 158.19 g/mol. Its IUPAC name is potassium 3,3-dihydroxy-2-methylpropanoate.

Molecular Properties

Compound Namepotassium 3,3-dihydroxy-2-methylpropanoate
PubChem CID175445001
Molecular FormulaC4H7KO4
Molecular Weight158.19 g/mol
Exact Mass158.00
IUPAC Namepotassium 3,3-dihydroxy-2-methylpropanoate
SMILESCC(C(=O)[O-])C(O)O.[K+]
InChIInChI=1S/C4H8O4.K/c1-2(3(5)6)4(7)8;/h2-3,5-6H,1H3,(H,7,8);/q;+1/p-1
InChIKeyWLBYHGPRBGONSN-UHFFFAOYSA-M
XLogP-5.31
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 5-5.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azanium 3,3-dihydroxy-2-methylpropanoate
CID 164518262
(2R,3R)-2,3-dimethylbutanedioate
CID 6950213
(2S,3R)-3-hydroxy-2-methylbutanoate
CID 18654775
potassium 2-hydroxypropanoate
CID 23671663
diazanium;2,3-dimethylbutanedioate
CID 162318469
dipotassium;dizinc;hexakis(2-hydroxypropanoate)
CID 160618147
potassium;zinc;tris(2-hydroxypropanoate)
CID 86746346
potassium;2-hydroxypropanoate;zirconium
CID 87220091
iodanium 2-hydroxypropanoate
CID 158316585
copper bis(2-hydroxypropanoate)
CID 13145
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416

Frequently Asked Questions

What is the IUPAC name of potassium 3,3-dihydroxy-2-methylpropanoate?
The IUPAC name of potassium 3,3-dihydroxy-2-methylpropanoate (CID 175445001) is potassium 3,3-dihydroxy-2-methylpropanoate.
What is the SMILES notation for potassium 3,3-dihydroxy-2-methylpropanoate?
The canonical SMILES for potassium 3,3-dihydroxy-2-methylpropanoate is CC(C(=O)[O-])C(O)O.[K+].
What is the InChIKey of potassium 3,3-dihydroxy-2-methylpropanoate?
The InChIKey is WLBYHGPRBGONSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O4.K/c1-2(3(5)6)4(7)8;/h2-3,5-6H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 3,3-dihydroxy-2-methylpropanoate?
potassium 3,3-dihydroxy-2-methylpropanoate has a molecular weight of 158.19 g/mol, XLogP of -5.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,3-dihydroxy-2-methylpropanoate is sourced from PubChem (CID 175445001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).