(2S,3R)-3-hydroxy-2-methylbutanoate

C5H9O3- — CID 18654775

IUPAC(2S,3R)-3-hydroxy-2-methylbutanoate
SMILESCC(C(=O)[O-])[C@@H](C)O
InChIInChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/p-1/t3?,4-/m1/s1
InChIKeyVEXDRERIMPLZLU-SRBOSORUSA-M
MW117.12 g/mol
LogP-1.25
Rot. Bonds2

About (2S,3R)-3-hydroxy-2-methylbutanoate

(2S,3R)-3-hydroxy-2-methylbutanoate (PubChem CID 18654775) has the molecular formula C5H9O3- and a molecular weight of 117.12 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-methylbutanoate
PubChem CID18654775
Molecular FormulaC5H9O3-
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(2S,3R)-3-hydroxy-2-methylbutanoate
SMILESCC(C(=O)[O-])[C@@H](C)O
InChIInChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/p-1/t3?,4-/m1/s1
InChIKeyVEXDRERIMPLZLU-SRBOSORUSA-M
XLogP-1.25
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2,3-dimethylbutanedioate
CID 6950213
potassium 3,3-dihydroxy-2-methylpropanoate
CID 175445001
diazanium;2,3-dimethylbutanedioate
CID 162318469
azanium 3,3-dihydroxy-2-methylpropanoate
CID 164518262
strontium bis(2-hydroxypropanoate)
CID 91886528
iodanium 2-hydroxypropanoate
CID 158316585
copper bis(2-hydroxypropanoate)
CID 13145
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
potassium 2-hydroxypropanoate
CID 23671663
silver (2R)-2-hydroxypropanoate
CID 14178856
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
2-hydroxypropanoate;tantalum(5+)
CID 172796362

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-methylbutanoate?
The IUPAC name of (2S,3R)-3-hydroxy-2-methylbutanoate (CID 18654775) is (2S,3R)-3-hydroxy-2-methylbutanoate.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-methylbutanoate?
The canonical SMILES for (2S,3R)-3-hydroxy-2-methylbutanoate is CC(C(=O)[O-])[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-methylbutanoate?
The InChIKey is VEXDRERIMPLZLU-SRBOSORUSA-M. The full InChI is InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/p-1/t3?,4-/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-methylbutanoate?
(2S,3R)-3-hydroxy-2-methylbutanoate has a molecular weight of 117.12 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-methylbutanoate is sourced from PubChem (CID 18654775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).