3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate

C14H25NO5 — CID 70948298

IUPAC3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@H]1COC(C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)11-15(12(17)20-14(4,5)6)9(8-19-11)10(16)18-7/h9,11H,8H2,1-7H3/t9-,11?/m1/s1
InChIKeyGZAZHWGEIRAXKK-BFHBGLAWSA-N
MW287.36 g/mol
LogP2.17
Rot. Bonds1

About 3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate

3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate (PubChem CID 70948298) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
PubChem CID70948298
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@H]1COC(C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)11-15(12(17)20-14(4,5)6)9(8-19-11)10(16)18-7/h9,11H,8H2,1-7H3/t9-,11?/m1/s1
InChIKeyGZAZHWGEIRAXKK-BFHBGLAWSA-N
XLogP2.17
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate with MolForge

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Related Compounds

3-O-tert-butyl 4-O-propan-2-yl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 164784727
3-O-tert-butyl 4-O-propan-2-yl (2S,4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 155185679
methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate
CID 10805271
1-O-tert-butyl 2-O-methyl (2S)-5-hydroxypyrrolidine-1,2-dicarboxylate;ethane
CID 90775482
methyl (4S)-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
CID 45038525
1-O-tert-butyl 2-O-methyl (2S,4S,5R)-4,5-dimethylpyrrolidine-1,2-dicarboxylate
CID 71244415
1-O-tert-butyl 2-O-methyl 4-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate
CID 134257440
1-O-tert-butyl 2-O,4-O-dimethyl (2S)-5-hydroxypyrrolidine-1,2,4-tricarboxylate
CID 11162473
1-O-tert-butyl 2-O-methyl (2S,5S)-5-formylpyrrolidine-1,2-dicarboxylate
CID 10445185
1-O-tert-butyl 2-O-methyl (2S)-5-hydroxy-4,4-dimethylpyrrolidine-1,2-dicarboxylate
CID 10378583
methyl (2R,4S)-2-tert-butyl-3-[(2R)-2-chloro-2-phenylacetyl]-1,3-oxazolidine-4-carboxylate
CID 10759552
1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
CID 59679477

Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate (CID 70948298) is 3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate is COC(=O)[C@H]1COC(C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of 3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
The InChIKey is GZAZHWGEIRAXKK-BFHBGLAWSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2,3)11-15(12(17)20-14(4,5)6)9(8-19-11)10(16)18-7/h9,11H,8H2,1-7H3/t9-,11?/m1/s1.
What are the key properties of 3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate is sourced from PubChem (CID 70948298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).