(2S)-2-(hydroxymethyl)-2-methylbutanoic acid

C6H12O3 — CID 124539750

IUPAC(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
SMILESCC[C@@](C)(CO)C(=O)O
InChIInChI=1S/C6H12O3/c1-3-6(2,4-7)5(8)9/h7H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyXSEPYPDPHNTXBX-LURJTMIESA-N
MW132.16 g/mol
LogP0.48
Rot. Bonds3

About (2S)-2-(hydroxymethyl)-2-methylbutanoic acid

(2S)-2-(hydroxymethyl)-2-methylbutanoic acid (PubChem CID 124539750) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
PubChem CID124539750
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
SMILESCC[C@@](C)(CO)C(=O)O
InChIInChI=1S/C6H12O3/c1-3-6(2,4-7)5(8)9/h7H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyXSEPYPDPHNTXBX-LURJTMIESA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 174867740
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane
CID 87556675
2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
CID 133065164
2-(iodomethyl)-2-methylbutanoic acid
CID 155784783
2-methyl-2-(trimethylsilylmethyl)butanoic acid
CID 106322957
1,1,3,5,7,9,11,13,15,17,19-undecamethylhenicosane-1,3,5,7,9,11,13,15,17,19-decacarboxylic acid
CID 58114727
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-triacontamethylnonapentacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosacarboxylic acid
CID 177116159
1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid
CID 88566200
4-bromo-2-ethyl-2,4-dimethylhexanoic acid
CID 130468141
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tetratetracontamethylheptaoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontacarboxylic acid
CID 140793312
2-ethyl-2,7,7-trimethyloctanoic acid
CID 139673893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-2-methylbutanoic acid?
The IUPAC name of (2S)-2-(hydroxymethyl)-2-methylbutanoic acid (CID 124539750) is (2S)-2-(hydroxymethyl)-2-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-2-methylbutanoic acid?
The canonical SMILES for (2S)-2-(hydroxymethyl)-2-methylbutanoic acid is CC[C@@](C)(CO)C(=O)O.
What is the InChIKey of (2S)-2-(hydroxymethyl)-2-methylbutanoic acid?
The InChIKey is XSEPYPDPHNTXBX-LURJTMIESA-N. The full InChI is InChI=1S/C6H12O3/c1-3-6(2,4-7)5(8)9/h7H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-2-methylbutanoic acid?
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid has a molecular weight of 132.16 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-2-methylbutanoic acid is sourced from PubChem (CID 124539750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).