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

C14H25NO5 — CID 12993726

IUPAC3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CO[C@@H](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-/m0/s1
InChIKeyGZAZHWGEIRAXKK-ONGXEEELSA-N
MW287.36 g/mol
LogP2.17
Rot. Bonds1

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

3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate (PubChem CID 12993726) 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 (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
PubChem CID12993726
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CO[C@@H](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-/m0/s1
InChIKeyGZAZHWGEIRAXKK-ONGXEEELSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate (CID 12993726) is 3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate is COC(=O)[C@@H]1CO[C@@H](C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of 3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
The InChIKey is GZAZHWGEIRAXKK-ONGXEEELSA-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-/m0/s1.
What are the key properties of 3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
3-O-tert-butyl 4-O-methyl (2S,4S)-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 (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate is sourced from PubChem (CID 12993726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).