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

C9H12O5 — CID 102425346

IUPACmethyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate
SMILESCC[C@](O)(C(=O)OC)[C@H]1C=CC(=O)O1
InChIInChI=1S/C9H12O5/c1-3-9(12,8(11)13-2)6-4-5-7(10)14-6/h4-6,12H,3H2,1-2H3/t6-,9-/m1/s1
InChIKeyFOUSUCPQJOXXSC-HZGVNTEJSA-N
MW200.19 g/mol
LogP-0.22
Rot. Bonds3

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

methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate (PubChem CID 102425346) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate
PubChem CID102425346
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Namemethyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate
SMILESCC[C@](O)(C(=O)OC)[C@H]1C=CC(=O)O1
InChIInChI=1S/C9H12O5/c1-3-9(12,8(11)13-2)6-4-5-7(10)14-6/h4-6,12H,3H2,1-2H3/t6-,9-/m1/s1
InChIKeyFOUSUCPQJOXXSC-HZGVNTEJSA-N
XLogP-0.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate?
The IUPAC name of methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate (CID 102425346) is methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate is CC[C@](O)(C(=O)OC)[C@H]1C=CC(=O)O1.
What is the InChIKey of methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate?
The InChIKey is FOUSUCPQJOXXSC-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H12O5/c1-3-9(12,8(11)13-2)6-4-5-7(10)14-6/h4-6,12H,3H2,1-2H3/t6-,9-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate?
methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate has a molecular weight of 200.19 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate is sourced from PubChem (CID 102425346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).