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

C8H12N2O4 — CID 167721818

IUPACmethyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate
SMILESCOC(=O)CN1C(=O)OCC12CNC2
InChIInChI=1S/C8H12N2O4/c1-13-6(11)2-10-7(12)14-5-8(10)3-9-4-8/h9H,2-5H2,1H3
InChIKeyVTHOMZPQBWZNKU-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.05
Rot. Bonds2

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

methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate (PubChem CID 167721818) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate
PubChem CID167721818
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namemethyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate
SMILESCOC(=O)CN1C(=O)OCC12CNC2
InChIInChI=1S/C8H12N2O4/c1-13-6(11)2-10-7(12)14-5-8(10)3-9-4-8/h9H,2-5H2,1H3
InChIKeyVTHOMZPQBWZNKU-UHFFFAOYSA-N
XLogP-1.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate?
The IUPAC name of methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate (CID 167721818) is methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate.
What is the SMILES notation for methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate?
The canonical SMILES for methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate is COC(=O)CN1C(=O)OCC12CNC2.
What is the InChIKey of methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate?
The InChIKey is VTHOMZPQBWZNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-13-6(11)2-10-7(12)14-5-8(10)3-9-4-8/h9H,2-5H2,1H3.
What are the key properties of methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate?
methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate has a molecular weight of 200.19 g/mol, XLogP of -1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate is sourced from PubChem (CID 167721818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).