(2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid

C6H10O6 — CID 175112445

IUPAC(2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
SMILESCOC(=O)C(C)(O)[C@H](O)C(=O)O
InChIInChI=1S/C6H10O6/c1-6(11,5(10)12-2)3(7)4(8)9/h3,7,11H,1-2H3,(H,8,9)/t3-,6?/m1/s1
InChIKeySOVGTNXAVHNKEI-HODUVHNASA-N
MW178.14 g/mol
LogP-1.64
Rot. Bonds3

About (2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid

(2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid (PubChem CID 175112445) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
PubChem CID175112445
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
SMILESCOC(=O)C(C)(O)[C@H](O)C(=O)O
InChIInChI=1S/C6H10O6/c1-6(11,5(10)12-2)3(7)4(8)9/h3,7,11H,1-2H3,(H,8,9)/t3-,6?/m1/s1
InChIKeySOVGTNXAVHNKEI-HODUVHNASA-N
XLogP-1.64
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (2S,3S)-2,3-dihydroxy-2-methylbutanedioate
CID 59873550
dimethyl 2,3-dihydroxy-2-methylbutanedioate
CID 22946220
methyl (2S,3S)-2,3-dihydroxy-2-methyl-3-phenylpropanoate
CID 13435156
2-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-4-methylpentanoic acid
CID 21472782
bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)
CID 5255070
(2S,3R)-2,3-dihydroxy-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid
CID 101406945
methyl 2-methyl-2-(sulfanylamino)propanoate
CID 59695497
methyl 2-bromo-2,3-dimethylbutanoate
CID 13167259
methyl (2S,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 15609948
methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate
CID 175060753
methyl (2R,3S)-3-tert-butylsulfanylcarbonyl-2-hydroxy-2,4-dimethylpentanoate
CID 100958228
dimethyl 2-hydroxy-2,3,3-trimethylbutanedioate
CID 11390086

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid?
The IUPAC name of (2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid (CID 175112445) is (2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid?
The canonical SMILES for (2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid is COC(=O)C(C)(O)[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid?
The InChIKey is SOVGTNXAVHNKEI-HODUVHNASA-N. The full InChI is InChI=1S/C6H10O6/c1-6(11,5(10)12-2)3(7)4(8)9/h3,7,11H,1-2H3,(H,8,9)/t3-,6?/m1/s1.
What are the key properties of (2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid?
(2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid has a molecular weight of 178.14 g/mol, XLogP of -1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid is sourced from PubChem (CID 175112445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).