ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate

C13H14O4 — CID 14399422

IUPACethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C13H14O4/c1-2-16-13(15)10-8-11(14)17-12(10)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-,12-/m0/s1
InChIKeyDKPAIIGTJBOURV-JQWIXIFHSA-N
MW234.25 g/mol
LogP1.85
Rot. Bonds3

About ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate

ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate (PubChem CID 14399422) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
PubChem CID14399422
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Nameethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C13H14O4/c1-2-16-13(15)10-8-11(14)17-12(10)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-,12-/m0/s1
InChIKeyDKPAIIGTJBOURV-JQWIXIFHSA-N
XLogP1.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
CID 101339914
(2R,3S)-N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 975811
ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
ethyl (3R,4S)-5-oxo-4-phenylpyrrolidine-3-carboxylate
CID 142553766
(2R,3R)-5-oxo-2-phenyloxolane-3-carboxylic acid;1-phenylethanamine
CID 10131410
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036
ethyl (2S)-2-phenylcyclohexane-1-carboxylate
CID 101094608
ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate
CID 15310447
ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 18474979
ethyl (2S,3R)-2-phenylpyrrolidine-3-carboxylate
CID 96575888

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate?
The IUPAC name of ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate (CID 14399422) is ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate?
The canonical SMILES for ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate is CCOC(=O)[C@H]1CC(=O)O[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate?
The InChIKey is DKPAIIGTJBOURV-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H14O4/c1-2-16-13(15)10-8-11(14)17-12(10)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-,12-/m0/s1.
What are the key properties of ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate?
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate is sourced from PubChem (CID 14399422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).