tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate

C9H15NO6 — CID 67729844

IUPACtert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1NC(OC(=O)O)CO1
InChIInChI=1S/C9H15NO6/c1-9(2,3)16-7(11)6-10-5(4-14-6)15-8(12)13/h5-6,10H,4H2,1-3H3,(H,12,13)
InChIKeyCMOORYAEQCWDAA-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.29
Rot. Bonds2

About tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate

tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate (PubChem CID 67729844) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate
PubChem CID67729844
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Nametert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1NC(OC(=O)O)CO1
InChIInChI=1S/C9H15NO6/c1-9(2,3)16-7(11)6-10-5(4-14-6)15-8(12)13/h5-6,10H,4H2,1-3H3,(H,12,13)
InChIKeyCMOORYAEQCWDAA-UHFFFAOYSA-N
XLogP0.29
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate (CID 67729844) is tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate is CC(C)(C)OC(=O)C1NC(OC(=O)O)CO1.
What is the InChIKey of tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate?
The InChIKey is CMOORYAEQCWDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6/c1-9(2,3)16-7(11)6-10-5(4-14-6)15-8(12)13/h5-6,10H,4H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate?
tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate has a molecular weight of 233.22 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 67729844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).