[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate

C8H16O3 — CID 171574297

IUPAC[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
SMILESCC(C)[C@@H](C)OC(=O)[C@@H](C)O
InChIInChI=1S/C8H16O3/c1-5(2)7(4)11-8(10)6(3)9/h5-7,9H,1-4H3/t6-,7-/m1/s1
InChIKeyIGBMWTKQGKLBOF-RNFRBKRXSA-N
MW160.21 g/mol
LogP0.95
Rot. Bonds3

About [(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate

[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate (PubChem CID 171574297) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is [(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate.

Molecular Properties

Compound Name[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
PubChem CID171574297
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
SMILESCC(C)[C@@H](C)OC(=O)[C@@H](C)O
InChIInChI=1S/C8H16O3/c1-5(2)7(4)11-8(10)6(3)9/h5-7,9H,1-4H3/t6-,7-/m1/s1
InChIKeyIGBMWTKQGKLBOF-RNFRBKRXSA-N
XLogP0.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate?
The IUPAC name of [(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate (CID 171574297) is [(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate.
What is the SMILES notation for [(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate?
The canonical SMILES for [(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate is CC(C)[C@@H](C)OC(=O)[C@@H](C)O.
What is the InChIKey of [(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate?
The InChIKey is IGBMWTKQGKLBOF-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16O3/c1-5(2)7(4)11-8(10)6(3)9/h5-7,9H,1-4H3/t6-,7-/m1/s1.
What are the key properties of [(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate?
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate has a molecular weight of 160.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate is sourced from PubChem (CID 171574297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).