(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid

C6H10O5 — CID 131231413

IUPAC(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid
SMILESCOC(=O)C[C@@](C)(O)C(=O)O
InChIInChI=1S/C6H10O5/c1-6(10,5(8)9)3-4(7)11-2/h10H,3H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKeyCMNFLYFSFBTSRO-ZCFIWIBFSA-N
MW162.14 g/mol
LogP-0.61
Rot. Bonds3

About (2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid

(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid (PubChem CID 131231413) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid
PubChem CID131231413
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid
SMILESCOC(=O)C[C@@](C)(O)C(=O)O
InChIInChI=1S/C6H10O5/c1-6(10,5(8)9)3-4(7)11-2/h10H,3H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKeyCMNFLYFSFBTSRO-ZCFIWIBFSA-N
XLogP-0.61
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid?
The IUPAC name of (2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid (CID 131231413) is (2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid is COC(=O)C[C@@](C)(O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid?
The InChIKey is CMNFLYFSFBTSRO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O5/c1-6(10,5(8)9)3-4(7)11-2/h10H,3H2,1-2H3,(H,8,9)/t6-/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid?
(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid has a molecular weight of 162.14 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutanoic acid is sourced from PubChem (CID 131231413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).