ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate

C11H16O5 — CID 25223637

IUPACethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate
SMILESCCOC(=O)[C@@](O)(C(C)C)[C@H]1C=CC(=O)O1
InChIInChI=1S/C11H16O5/c1-4-15-10(13)11(14,7(2)3)8-5-6-9(12)16-8/h5-8,14H,4H2,1-3H3/t8-,11-/m1/s1
InChIKeyWPKJVWDHTZYPBQ-LDYMZIIASA-N
MW228.24 g/mol
LogP0.42
Rot. Bonds4

About ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate

ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate (PubChem CID 25223637) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate
PubChem CID25223637
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Nameethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate
SMILESCCOC(=O)[C@@](O)(C(C)C)[C@H]1C=CC(=O)O1
InChIInChI=1S/C11H16O5/c1-4-15-10(13)11(14,7(2)3)8-5-6-9(12)16-8/h5-8,14H,4H2,1-3H3/t8-,11-/m1/s1
InChIKeyWPKJVWDHTZYPBQ-LDYMZIIASA-N
XLogP0.42
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate with MolForge

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Related Compounds

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Butalactin
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1-O-tert-butyl 6-O-ethyl (E,4R,5R)-5-hydroxy-4-propylhex-2-enedioate
CID 89595392
1-O-tert-butyl 6-O-ethyl (E,4R,5R)-4-ethyl-5-hydroxyhex-2-enedioate
CID 89595420
5-Hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate
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methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]propanoate
CID 100958240
methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate
CID 102425346
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CID 134859009

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate?
The IUPAC name of ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate (CID 25223637) is ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate?
The canonical SMILES for ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate is CCOC(=O)[C@@](O)(C(C)C)[C@H]1C=CC(=O)O1.
What is the InChIKey of ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate?
The InChIKey is WPKJVWDHTZYPBQ-LDYMZIIASA-N. The full InChI is InChI=1S/C11H16O5/c1-4-15-10(13)11(14,7(2)3)8-5-6-9(12)16-8/h5-8,14H,4H2,1-3H3/t8-,11-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate?
ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate has a molecular weight of 228.24 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-3-methyl-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate is sourced from PubChem (CID 25223637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).