(3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid

C6H10O5 — CID 131231414

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

About (3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid

(3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid (PubChem CID 131231414) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
PubChem CID131231414
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
SMILESCOC(=O)[C@](C)(O)CC(=O)O
InChIInChI=1S/C6H10O5/c1-6(10,3-4(7)8)5(9)11-2/h10H,3H2,1-2H3,(H,7,8)/t6-/m1/s1
InChIKeyVQNKVZAIEXAESZ-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 (3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid?
The IUPAC name of (3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid (CID 131231414) is (3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid?
The canonical SMILES for (3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid is COC(=O)[C@](C)(O)CC(=O)O.
What is the InChIKey of (3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid?
The InChIKey is VQNKVZAIEXAESZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O5/c1-6(10,3-4(7)8)5(9)11-2/h10H,3H2,1-2H3,(H,7,8)/t6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid?
(3R)-3-hydroxy-4-methoxy-3-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 (3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid is sourced from PubChem (CID 131231414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).