2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid

C7H14O4 — CID 86184670

IUPAC2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(O)(CO)C(=O)O
InChIInChI=1S/C7H14O4/c1-6(2,3)7(11,4-8)5(9)10/h8,11H,4H2,1-3H3,(H,9,10)
InChIKeyQLEJPVPJHWAGGU-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.16
Rot. Bonds2

About 2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid

2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid (PubChem CID 86184670) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid
PubChem CID86184670
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(O)(CO)C(=O)O
InChIInChI=1S/C7H14O4/c1-6(2,3)7(11,4-8)5(9)10/h8,11H,4H2,1-3H3,(H,9,10)
InChIKeyQLEJPVPJHWAGGU-UHFFFAOYSA-N
XLogP-0.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
CID 83694809
cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 174867740
3-hydroxy-2,2-dimethylpropanoic acid;silver
CID 87183588
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)
CID 5255084
(2S,3S)-2,3-ditert-butyl-2,3-dihydroxybutanedioic acid
CID 151227491
(2-carboxy-1-hydroxypropan-2-yl)azanium
CID 163480089
(2S,3S,4R,5R)-2,3,4-triacetyl-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)-6-oxoheptanoic acid
CID 139681284
2-hexyl-2,3-dihydroxy-3-methylbutanedioic acid
CID 177472365
2,2-ditert-butylpropanedioic acid;propanedioic acid
CID 160545012
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane
CID 87556675

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid (CID 86184670) is 2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid is CC(C)(C)C(O)(CO)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid?
The InChIKey is QLEJPVPJHWAGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-6(2,3)7(11,4-8)5(9)10/h8,11H,4H2,1-3H3,(H,9,10).
What are the key properties of 2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid?
2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid has a molecular weight of 162.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 86184670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).