3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate

C13H23NO5 — CID 39871801

IUPAC3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8-9(10(15)17-7)14(13(5,6)18-8)11(16)19-12(2,3)4/h8-9H,1-7H3/t8-,9-/m1/s1
InChIKeyFRSJJRXFHYGDSO-RKDXNWHRSA-N
MW273.33 g/mol
LogP1.92
Rot. Bonds1

About 3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate

3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate (PubChem CID 39871801) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
PubChem CID39871801
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8-9(10(15)17-7)14(13(5,6)18-8)11(16)19-12(2,3)4/h8-9H,1-7H3/t8-,9-/m1/s1
InChIKeyFRSJJRXFHYGDSO-RKDXNWHRSA-N
XLogP1.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.92
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 (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate (CID 39871801) is 3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate is COC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of 3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate?
The InChIKey is FRSJJRXFHYGDSO-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H23NO5/c1-8-9(10(15)17-7)14(13(5,6)18-8)11(16)19-12(2,3)4/h8-9H,1-7H3/t8-,9-/m1/s1.
What are the key properties of 3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate?
3-O-tert-butyl 4-O-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.92, 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,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate is sourced from PubChem (CID 39871801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).