4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate

C13H23NO5 — CID 68766442

IUPAC4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)C1C(C)OC(C)(C)N1C(=O)OCC(C)C
InChIInChI=1S/C13H23NO5/c1-8(2)7-18-12(16)14-10(11(15)17-6)9(3)19-13(14,4)5/h8-10H,7H2,1-6H3
InChIKeyLGZPRWRTBQAMRB-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.78
Rot. Bonds3

About 4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate

4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate (PubChem CID 68766442) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate.

Molecular Properties

Compound Name4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
PubChem CID68766442
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)C1C(C)OC(C)(C)N1C(=O)OCC(C)C
InChIInChI=1S/C13H23NO5/c1-8(2)7-18-12(16)14-10(11(15)17-6)9(3)19-13(14,4)5/h8-10H,7H2,1-6H3
InChIKeyLGZPRWRTBQAMRB-UHFFFAOYSA-N
XLogP1.78
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate?
The IUPAC name of 4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate (CID 68766442) is 4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate.
What is the SMILES notation for 4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate?
The canonical SMILES for 4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate is COC(=O)C1C(C)OC(C)(C)N1C(=O)OCC(C)C.
What is the InChIKey of 4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate?
The InChIKey is LGZPRWRTBQAMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-8(2)7-18-12(16)14-10(11(15)17-6)9(3)19-13(14,4)5/h8-10H,7H2,1-6H3.
What are the key properties of 4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate?
4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate is sourced from PubChem (CID 68766442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).