ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate

C7H9NO5 — CID 118148165

IUPACethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)C1OC(=O)N(C)C1=O
InChIInChI=1S/C7H9NO5/c1-3-12-6(10)4-5(9)8(2)7(11)13-4/h4H,3H2,1-2H3
InChIKeyXCWQTGVFRLUMDL-UHFFFAOYSA-N
MW187.15 g/mol
LogP-0.47
Rot. Bonds2

About ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate

ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate (PubChem CID 118148165) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate
PubChem CID118148165
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Nameethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)C1OC(=O)N(C)C1=O
InChIInChI=1S/C7H9NO5/c1-3-12-6(10)4-5(9)8(2)7(11)13-4/h4H,3H2,1-2H3
InChIKeyXCWQTGVFRLUMDL-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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-methyl-3-oxo-1,4-benzoxazine-2-carboxylate
CID 10657388
ethyl 3-methyl-5-oxo-2H-furan-2-carboxylate
CID 10986688
ethyl (4S)-4-methyl-3-oxooxetane-2-carboxylate
CID 155820495
ethyl (4R)-4-methyl-3-oxooxetane-2-carboxylate
CID 154577176
ethyl 4-(4-ethoxy-4-oxobutyl)-3-oxo-1,4-benzoxazine-2-carboxylate
CID 101261137
ethyl 4,4-dimethyl-3-oxooxolane-2-carboxylate
CID 66867779
diethyl (2S,3S)-oxirane-2,3-dicarboxylate
CID 7021072
ethyl 4-benzyl-3-oxo-1,4-benzoxazine-2-carboxylate
CID 10662803
ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036
ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate
CID 91567875
ethyl (2S,5R)-5-methyl-3-oxooxolane-2-carboxylate
CID 15830843
ethyl 6-chloro-3-ethyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 22748569

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate?
The IUPAC name of ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate (CID 118148165) is ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate is CCOC(=O)C1OC(=O)N(C)C1=O.
What is the InChIKey of ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate?
The InChIKey is XCWQTGVFRLUMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c1-3-12-6(10)4-5(9)8(2)7(11)13-4/h4H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate?
ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-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 ethyl 3-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 118148165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).