methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate

C7H9NO5 — CID 57033351

IUPACmethyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1COC(=O)C1CC=O
InChIInChI=1S/C7H9NO5/c1-12-7(11)8-4-13-6(10)5(8)2-3-9/h3,5H,2,4H2,1H3
InChIKeyXYSPGJRNJJXWTF-UHFFFAOYSA-N
MW187.15 g/mol
LogP-0.47
Rot. Bonds2

About methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate

methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 57033351) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID57033351
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Namemethyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1COC(=O)C1CC=O
InChIInChI=1S/C7H9NO5/c1-12-7(11)8-4-13-6(10)5(8)2-3-9/h3,5H,2,4H2,1H3
InChIKeyXYSPGJRNJJXWTF-UHFFFAOYSA-N
XLogP-0.47
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate (CID 57033351) is methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate is COC(=O)N1COC(=O)C1CC=O.
What is the InChIKey of methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is XYSPGJRNJJXWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c1-12-7(11)8-4-13-6(10)5(8)2-3-9/h3,5H,2,4H2,1H3.
What are the key properties of methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 187.15 g/mol, XLogP of -0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 57033351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).