tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate

C11H18N2O4 — CID 167730773

IUPACtert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)OCC12CNC2
InChIInChI=1S/C11H18N2O4/c1-10(2,3)17-8(14)4-13-9(15)16-7-11(13)5-12-6-11/h12H,4-7H2,1-3H3
InChIKeyVSNKZDBDMBONPS-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.12
Rot. Bonds2

About tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate

tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate (PubChem CID 167730773) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate
PubChem CID167730773
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nametert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)OCC12CNC2
InChIInChI=1S/C11H18N2O4/c1-10(2,3)17-8(14)4-13-9(15)16-7-11(13)5-12-6-11/h12H,4-7H2,1-3H3
InChIKeyVSNKZDBDMBONPS-UHFFFAOYSA-N
XLogP0.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate?
The IUPAC name of tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate (CID 167730773) is tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate.
What is the SMILES notation for tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate?
The canonical SMILES for tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate is CC(C)(C)OC(=O)CN1C(=O)OCC12CNC2.
What is the InChIKey of tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate?
The InChIKey is VSNKZDBDMBONPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-10(2,3)17-8(14)4-13-9(15)16-7-11(13)5-12-6-11/h12H,4-7H2,1-3H3.
What are the key properties of tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate?
tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate has a molecular weight of 242.27 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate is sourced from PubChem (CID 167730773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).