2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate

C14H22N2O5 — CID 124518587

IUPAC2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H22N2O5/c1-5-20-11(18)10-14(6-9(17)15-10)7-16(8-14)12(19)21-13(2,3)4/h10H,5-8H2,1-4H3,(H,15,17)/t10-/m0/s1
InChIKeyHVOJRYNWIYULON-JTQLQIEISA-N
MW298.34 g/mol
LogP0.68
Rot. Bonds2

About 2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate

2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate (PubChem CID 124518587) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate
PubChem CID124518587
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H22N2O5/c1-5-20-11(18)10-14(6-9(17)15-10)7-16(8-14)12(19)21-13(2,3)4/h10H,5-8H2,1-4H3,(H,15,17)/t10-/m0/s1
InChIKeyHVOJRYNWIYULON-JTQLQIEISA-N
XLogP0.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate (CID 124518587) is 2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate is CCOC(=O)[C@@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of 2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate?
The InChIKey is HVOJRYNWIYULON-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O5/c1-5-20-11(18)10-14(6-9(17)15-10)7-16(8-14)12(19)21-13(2,3)4/h10H,5-8H2,1-4H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate?
2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate has a molecular weight of 298.34 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate is sourced from PubChem (CID 124518587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).