methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate

C8H10O5 — CID 134859009

IUPACmethyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate
SMILESCOC(=O)[C@](C)(O)C1C=CC(=O)O1
InChIInChI=1S/C8H10O5/c1-8(11,7(10)12-2)5-3-4-6(9)13-5/h3-5,11H,1-2H3/t5?,8-/m1/s1
InChIKeyODBAWETWDYFANW-XCGJVMPOSA-N
MW186.16 g/mol
LogP-0.61
Rot. Bonds2

About methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate

methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate (PubChem CID 134859009) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate
PubChem CID134859009
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namemethyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate
SMILESCOC(=O)[C@](C)(O)C1C=CC(=O)O1
InChIInChI=1S/C8H10O5/c1-8(11,7(10)12-2)5-3-4-6(9)13-5/h3-5,11H,1-2H3/t5?,8-/m1/s1
InChIKeyODBAWETWDYFANW-XCGJVMPOSA-N
XLogP-0.61
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.61
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-(5-oxo-2H-furan-2-yl)propanoate?
The IUPAC name of methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate (CID 134859009) is methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate is COC(=O)[C@](C)(O)C1C=CC(=O)O1.
What is the InChIKey of methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate?
The InChIKey is ODBAWETWDYFANW-XCGJVMPOSA-N. The full InChI is InChI=1S/C8H10O5/c1-8(11,7(10)12-2)5-3-4-6(9)13-5/h3-5,11H,1-2H3/t5?,8-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate?
methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate has a molecular weight of 186.16 g/mol, XLogP of -0.61, 2 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-(5-oxo-2H-furan-2-yl)propanoate is sourced from PubChem (CID 134859009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).