ethyl (2R)-4-oxooxetane-2-carboxylate

C6H8O4 — CID 45090036

IUPACethyl (2R)-4-oxooxetane-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)O1
InChIInChI=1S/C6H8O4/c1-2-9-6(8)4-3-5(7)10-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyMDARXXGXFUIFGZ-SCSAIBSYSA-N
MW144.13 g/mol
LogP-0.14
Rot. Bonds2

About ethyl (2R)-4-oxooxetane-2-carboxylate

ethyl (2R)-4-oxooxetane-2-carboxylate (PubChem CID 45090036) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is ethyl (2R)-4-oxooxetane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-4-oxooxetane-2-carboxylate
PubChem CID45090036
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Nameethyl (2R)-4-oxooxetane-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)O1
InChIInChI=1S/C6H8O4/c1-2-9-6(8)4-3-5(7)10-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyMDARXXGXFUIFGZ-SCSAIBSYSA-N
XLogP-0.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
CID 101339914
2-(2-methylprop-2-enoyloxy)ethyl 4-oxooxetane-2-carboxylate
CID 101194872
2-(2-methylprop-2-enoyloxy)ethyl (2R)-4-oxooxetane-2-carboxylate
CID 101158451
ethyl (3aS,4S,6aR)-2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-4-carboxylate
CID 11356042
ethyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate
CID 86331891
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
ethyl (4R)-4-methyloxetane-2-carboxylate
CID 178051520
(2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide
CID 68539806
ethyl 4-hydroxyimino-2,3-dihydrochromene-2-carboxylate
CID 131869021
ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate
CID 10352750
ethyl 3-(aminomethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate;hydrochloride
CID 163398820

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-oxooxetane-2-carboxylate?
The IUPAC name of ethyl (2R)-4-oxooxetane-2-carboxylate (CID 45090036) is ethyl (2R)-4-oxooxetane-2-carboxylate.
What is the SMILES notation for ethyl (2R)-4-oxooxetane-2-carboxylate?
The canonical SMILES for ethyl (2R)-4-oxooxetane-2-carboxylate is CCOC(=O)[C@H]1CC(=O)O1.
What is the InChIKey of ethyl (2R)-4-oxooxetane-2-carboxylate?
The InChIKey is MDARXXGXFUIFGZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8O4/c1-2-9-6(8)4-3-5(7)10-4/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of ethyl (2R)-4-oxooxetane-2-carboxylate?
ethyl (2R)-4-oxooxetane-2-carboxylate has a molecular weight of 144.13 g/mol, XLogP of -0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-oxooxetane-2-carboxylate is sourced from PubChem (CID 45090036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).