dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate

C11H20O6 — CID 101225713

IUPACdimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate
SMILESCOC(=O)[C@H](O)[C@@H](O[C@H](C)C(C)C)C(=O)OC
InChIInChI=1S/C11H20O6/c1-6(2)7(3)17-9(11(14)16-5)8(12)10(13)15-4/h6-9,12H,1-5H3/t7-,8-,9-/m1/s1
InChIKeyQQODHOHPPIHZOO-IWSPIJDZSA-N
MW248.27 g/mol
LogP0.12
Rot. Bonds6

About dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate

dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate (PubChem CID 101225713) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate.

Molecular Properties

Compound Namedimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate
PubChem CID101225713
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Namedimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate
SMILESCOC(=O)[C@H](O)[C@@H](O[C@H](C)C(C)C)C(=O)OC
InChIInChI=1S/C11H20O6/c1-6(2)7(3)17-9(11(14)16-5)8(12)10(13)15-4/h6-9,12H,1-5H3/t7-,8-,9-/m1/s1
InChIKeyQQODHOHPPIHZOO-IWSPIJDZSA-N
XLogP0.12
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-acetyloxy-3-hydroxybutanedioate
CID 538425
[(2R)-1-[(2R)-1-[(2R)-1-[(2R)-1-[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate
CID 163043863
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid
CID 162867940
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate
CID 10559215
dimethyl 2-(benzenesulfonyloxy)-3-hydroxybutanedioate
CID 139815316

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate?
The IUPAC name of dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate (CID 101225713) is dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate.
What is the SMILES notation for dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate?
The canonical SMILES for dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate is COC(=O)[C@H](O)[C@@H](O[C@H](C)C(C)C)C(=O)OC.
What is the InChIKey of dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate?
The InChIKey is QQODHOHPPIHZOO-IWSPIJDZSA-N. The full InChI is InChI=1S/C11H20O6/c1-6(2)7(3)17-9(11(14)16-5)8(12)10(13)15-4/h6-9,12H,1-5H3/t7-,8-,9-/m1/s1.
What are the key properties of dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate?
dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate has a molecular weight of 248.27 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R)-2-hydroxy-3-[(2R)-3-methylbutan-2-yl]oxybutanedioate is sourced from PubChem (CID 101225713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).