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

C8H13ClN2O4 — CID 167721817

IUPACmethyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride
SMILESCOC(=O)CN1C(=O)OCC12CNC2.Cl
InChIInChI=1S/C8H12N2O4.ClH/c1-13-6(11)2-10-7(12)14-5-8(10)3-9-4-8;/h9H,2-5H2,1H3;1H
InChIKeyHTDWSSYWROLGGU-UHFFFAOYSA-N
MW236.65 g/mol
LogP-0.62
Rot. Bonds2

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

methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride (PubChem CID 167721817) has the molecular formula C8H13ClN2O4 and a molecular weight of 236.65 g/mol. Its IUPAC name is methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride
PubChem CID167721817
Molecular FormulaC8H13ClN2O4
Molecular Weight236.65 g/mol
Exact Mass236.06
IUPAC Namemethyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride
SMILESCOC(=O)CN1C(=O)OCC12CNC2.Cl
InChIInChI=1S/C8H12N2O4.ClH/c1-13-6(11)2-10-7(12)14-5-8(10)3-9-4-8;/h9H,2-5H2,1H3;1H
InChIKeyHTDWSSYWROLGGU-UHFFFAOYSA-N
XLogP-0.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride with MolForge

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Related Compounds

5-Methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one hydrochloride
CID 165767552
5-Methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
CID 105428329
Ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate
CID 155054862
5-Ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
CID 105430479
5-Propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
CID 105434460
5-Tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
CID 105441146
2-{6-Oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl}acetic acid
CID 167718575
Methyl 2-{6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl}acetate
CID 167721818
2-{6-Oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl}acetic acid hydrochloride
CID 167723738
Methyl 2-{6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl}acetate hydrochloride
CID 167730348
Tert-butyl 2-{6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl}acetate
CID 167730773
2-{2-Acetyl-6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl}acetic acid
CID 167732135

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride (CID 167721817) is methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride is COC(=O)CN1C(=O)OCC12CNC2.Cl.
What is the InChIKey of methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride?
The InChIKey is HTDWSSYWROLGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4.ClH/c1-13-6(11)2-10-7(12)14-5-8(10)3-9-4-8;/h9H,2-5H2,1H3;1H.
What are the key properties of methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride?
methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride has a molecular weight of 236.65 g/mol, XLogP of -0.62, 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;hydrochloride is sourced from PubChem (CID 167721817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).