ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate

C7H10O5 — CID 163095762

IUPACethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate
SMILESCCOC(=O)[C@]1(O)CCC(=O)O1
InChIInChI=1S/C7H10O5/c1-2-11-6(9)7(10)4-3-5(8)12-7/h10H,2-4H2,1H3/t7-/m0/s1
InChIKeyYAVWYXFHBSENDI-ZETCQYMHSA-N
MW174.15 g/mol
LogP-0.42
Rot. Bonds2

About ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate

ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate (PubChem CID 163095762) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate
PubChem CID163095762
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Nameethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate
SMILESCCOC(=O)[C@]1(O)CCC(=O)O1
InChIInChI=1S/C7H10O5/c1-2-11-6(9)7(10)4-3-5(8)12-7/h10H,2-4H2,1H3/t7-/m0/s1
InChIKeyYAVWYXFHBSENDI-ZETCQYMHSA-N
XLogP-0.42
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 6-oxooxane-3,3-dicarboxylate
CID 172560862
2-ethoxy-5-oxooxolane-2-carboxamide
CID 91082721
ethyl 6-oxo-2-undecyloxane-2-carboxylate
CID 11484210
ethyl 2-ethyl-3-methylidene-5-oxooxolane-2-carboxylate
CID 102240656
ethyl (3aR,7aR)-7a-hydroxy-7-oxo-1,2,3,4,5,6-hexahydroindene-3a-carboxylate
CID 10900315
ethyl 6-hydroxy-7,8-dioxospiro[2.5]octane-6-carboxylate
CID 121224625
diethyl 4,7-dioxo-1,3-dihydroindene-2,2-dicarboxylate
CID 121351241
ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
CID 129073639
ethyl 2,2-difluoro-5-iodo-3-methyl-9-oxooxonane-5-carboxylate
CID 135026606
ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate
CID 58405373
ethyl (1R)-1-fluoro-2-oxocyclopentane-1-carboxylate
CID 12847394
ethyl (1S)-1-fluoro-2-oxocyclopentane-1-carboxylate
CID 101405891

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate?
The IUPAC name of ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate (CID 163095762) is ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate.
What is the SMILES notation for ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate?
The canonical SMILES for ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate is CCOC(=O)[C@]1(O)CCC(=O)O1.
What is the InChIKey of ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate?
The InChIKey is YAVWYXFHBSENDI-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O5/c1-2-11-6(9)7(10)4-3-5(8)12-7/h10H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate?
ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate has a molecular weight of 174.15 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 163095762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).