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

C6H12O3 — CID 642248

IUPACmethyl (2R,3S)-3-hydroxy-2-methylbutanoate
SMILESCOC(=O)[C@H](C)[C@H](C)O
InChIInChI=1S/C6H12O3/c1-4(5(2)7)6(8)9-3/h4-5,7H,1-3H3/t4-,5+/m1/s1
InChIKeyFFJMPYODEQVBEX-UHNVWZDZSA-N
MW132.16 g/mol
LogP0.18
Rot. Bonds2

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

methyl (2R,3S)-3-hydroxy-2-methylbutanoate (PubChem CID 642248) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl (2R,3S)-3-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-hydroxy-2-methylbutanoate
PubChem CID642248
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namemethyl (2R,3S)-3-hydroxy-2-methylbutanoate
SMILESCOC(=O)[C@H](C)[C@H](C)O
InChIInChI=1S/C6H12O3/c1-4(5(2)7)6(8)9-3/h4-5,7H,1-3H3/t4-,5+/m1/s1
InChIKeyFFJMPYODEQVBEX-UHNVWZDZSA-N
XLogP0.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-hydroxy-2-methylbutanoate?
The IUPAC name of methyl (2R,3S)-3-hydroxy-2-methylbutanoate (CID 642248) is methyl (2R,3S)-3-hydroxy-2-methylbutanoate.
What is the SMILES notation for methyl (2R,3S)-3-hydroxy-2-methylbutanoate?
The canonical SMILES for methyl (2R,3S)-3-hydroxy-2-methylbutanoate is COC(=O)[C@H](C)[C@H](C)O.
What is the InChIKey of methyl (2R,3S)-3-hydroxy-2-methylbutanoate?
The InChIKey is FFJMPYODEQVBEX-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H12O3/c1-4(5(2)7)6(8)9-3/h4-5,7H,1-3H3/t4-,5+/m1/s1.
What are the key properties of methyl (2R,3S)-3-hydroxy-2-methylbutanoate?
methyl (2R,3S)-3-hydroxy-2-methylbutanoate has a molecular weight of 132.16 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-hydroxy-2-methylbutanoate is sourced from PubChem (CID 642248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).