ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate

C10H16N2O6 — CID 10563269

IUPACethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1(NC(=O)OC)NC(=O)OC1(C)C
InChIInChI=1S/C10H16N2O6/c1-5-17-6(13)10(11-7(14)16-4)9(2,3)18-8(15)12-10/h5H2,1-4H3,(H,11,14)(H,12,15)
InChIKeyAEMDWCAMOQFYPJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.12
Rot. Bonds3

About ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate

ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 10563269) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID10563269
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Nameethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1(NC(=O)OC)NC(=O)OC1(C)C
InChIInChI=1S/C10H16N2O6/c1-5-17-6(13)10(11-7(14)16-4)9(2,3)18-8(15)12-10/h5H2,1-4H3,(H,11,14)(H,12,15)
InChIKeyAEMDWCAMOQFYPJ-UHFFFAOYSA-N
XLogP0.12
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

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butyl 8,8-dimethyl-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxylate
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methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate
CID 10081997
ethyl 2,4-dimethyl-5-oxo-1,3-oxazole-4-carboxylate
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ethyl 3,5-dimethyl-1,4,2-dioxazole-5-carboxylate
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tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
2-O-ethyl 4-O-methyl (2S,3S,4S)-2-methyl-3-(2-methylpropyl)-5-oxopyrrolidine-2,4-dicarboxylate
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ethyl 2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)acetate
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CID 58405373

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 10563269) is ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate is CCOC(=O)C1(NC(=O)OC)NC(=O)OC1(C)C.
What is the InChIKey of ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is AEMDWCAMOQFYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-5-17-6(13)10(11-7(14)16-4)9(2,3)18-8(15)12-10/h5H2,1-4H3,(H,11,14)(H,12,15).
What are the key properties of ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate?
ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 10563269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).