methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate

C11H20O6 — CID 72548059

IUPACmethyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate
SMILESCOC(=O)[C@@](C)(O)[C@](C)(O)C1COC(C)(C)O1
InChIInChI=1S/C11H20O6/c1-9(2)16-6-7(17-9)10(3,13)11(4,14)8(12)15-5/h7,13-14H,6H2,1-5H3/t7?,10-,11-/m1/s1
InChIKeyANRFVSSYQVWHNE-ABCCIZJZSA-N
MW248.27 g/mol
LogP-0.19
Rot. Bonds3

About methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate

methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate (PubChem CID 72548059) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate
PubChem CID72548059
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Namemethyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate
SMILESCOC(=O)[C@@](C)(O)[C@](C)(O)C1COC(C)(C)O1
InChIInChI=1S/C11H20O6/c1-9(2)16-6-7(17-9)10(3,13)11(4,14)8(12)15-5/h7,13-14H,6H2,1-5H3/t7?,10-,11-/m1/s1
InChIKeyANRFVSSYQVWHNE-ABCCIZJZSA-N
XLogP-0.19
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate with MolForge

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Related Compounds

2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 69412912
methyl 2,2-dimethyl-(4,5-13C2)1,3-dioxolane-4-carboxylate
CID 169439042
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 151976958
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101265838
[(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate
CID 10785515
(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)but-3-yne-1,2-diol
CID 11148148
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid
CID 22986255
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 102153922
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol
CID 11470214
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
CID 4053441
methyl (2S,3R)-2-chloro-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 158040346
dimethyl 2-hydroxy-2,3,3-trimethylbutanedioate
CID 11390086

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate?
The IUPAC name of methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate (CID 72548059) is methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate.
What is the SMILES notation for methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate?
The canonical SMILES for methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate is COC(=O)[C@@](C)(O)[C@](C)(O)C1COC(C)(C)O1.
What is the InChIKey of methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate?
The InChIKey is ANRFVSSYQVWHNE-ABCCIZJZSA-N. The full InChI is InChI=1S/C11H20O6/c1-9(2)16-6-7(17-9)10(3,13)11(4,14)8(12)15-5/h7,13-14H,6H2,1-5H3/t7?,10-,11-/m1/s1.
What are the key properties of methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate?
methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate has a molecular weight of 248.27 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate is sourced from PubChem (CID 72548059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).