ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate

C8H12O4 — CID 101339914

IUPACethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)O[C@@H]1C
InChIInChI=1S/C8H12O4/c1-3-11-8(10)6-4-7(9)12-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyUEWMZKRBBPJDFJ-PHDIDXHHSA-N
MW172.18 g/mol
LogP0.50
Rot. Bonds2

About ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate

ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate (PubChem CID 101339914) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
PubChem CID101339914
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Nameethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)O[C@@H]1C
InChIInChI=1S/C8H12O4/c1-3-11-8(10)6-4-7(9)12-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyUEWMZKRBBPJDFJ-PHDIDXHHSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
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CID 26967535
(1R,6R)-6-ethoxycarbonyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 36691021
diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate
CID 101129718
diethyl (3R,4R)-6-oxopiperidine-3,4-dicarboxylate
CID 14201946
ethyl (2S,3R)-2-methyl-6-oxopiperidine-3-carboxylate
CID 125042037
ethyl (3aS,4S,6aR)-2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-4-carboxylate
CID 11356042
trans-diethyl (1S,2S)-4-propan-2-ylidenecyclopentane-1,2-dicarboxylate
CID 22215804
ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 163993151
ethyl (1R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 166968043
diethyl 4-oxocyclohexane-1,2-dicarboxylate
CID 14062941

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate?
The IUPAC name of ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate (CID 101339914) is ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate?
The canonical SMILES for ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate is CCOC(=O)[C@@H]1CC(=O)O[C@@H]1C.
What is the InChIKey of ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate?
The InChIKey is UEWMZKRBBPJDFJ-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H12O4/c1-3-11-8(10)6-4-7(9)12-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate?
ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate has a molecular weight of 172.18 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate is sourced from PubChem (CID 101339914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).