methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate

C8H10O5 — CID 100958241

IUPACmethyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate
SMILESCOC(=O)[C@@](C)(O)[C@@H]1C=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-/m0/s1
InChIKeyODBAWETWDYFANW-XNCJUZBTSA-N
MW186.16 g/mol
LogP-0.61
Rot. Bonds2

About methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate

methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate (PubChem CID 100958241) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate
PubChem CID100958241
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namemethyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate
SMILESCOC(=O)[C@@](C)(O)[C@@H]1C=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-/m0/s1
InChIKeyODBAWETWDYFANW-XNCJUZBTSA-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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Related Compounds

(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one
CID 56590637
(2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one
CID 56590638
tert-butyl (5-oxo-2H-furan-2-yl) carbonate
CID 11074395
methyl 2-cyclopropyl-2-hydroxypropanoate
CID 62212878
2-(2-methylnonan-2-yl)-2H-furan-5-one
CID 129257118
methyl 2,2-difluoro-3,3-dihydroxybutanoate
CID 91543242
[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate
CID 101195866
(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one
CID 13391762
(2S)-2-hydroxy-2H-furan-5-one
CID 11073352
(2S,3R)-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
CID 10080412
methyl 2-(5-bromo-2H-chromen-2-yl)-2-hydroxy-2-phenylacetate
CID 165388767
methyl 2-(1,4,6,7,8,8a-hexamethyl-3-oxo-1,2,5,6,7,8-hexahydronaphthalen-2-yl)-2-hydroxypropanoate
CID 20668788

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate?
The IUPAC name of methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate (CID 100958241) is methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate?
The canonical SMILES for methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate is COC(=O)[C@@](C)(O)[C@@H]1C=CC(=O)O1.
What is the InChIKey of methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate?
The InChIKey is ODBAWETWDYFANW-XNCJUZBTSA-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-/m0/s1.
What are the key properties of methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate?
methyl (2S)-2-hydroxy-2-[(2S)-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 (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate is sourced from PubChem (CID 100958241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).