methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate

C9H12N2O4 — CID 10774882

IUPACmethyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate
SMILESCOC(=O)C1CCCC12OC(N)=NC2=O
InChIInChI=1S/C9H12N2O4/c1-14-6(12)5-3-2-4-9(5)7(13)11-8(10)15-9/h5H,2-4H2,1H3,(H2,10,11,13)
InChIKeyQRPOYYNLYWEYLJ-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.43
Rot. Bonds1

About methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate

methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate (PubChem CID 10774882) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate
PubChem CID10774882
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate
SMILESCOC(=O)C1CCCC12OC(N)=NC2=O
InChIInChI=1S/C9H12N2O4/c1-14-6(12)5-3-2-4-9(5)7(13)11-8(10)15-9/h5H,2-4H2,1H3,(H2,10,11,13)
InChIKeyQRPOYYNLYWEYLJ-UHFFFAOYSA-N
XLogP-0.43
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate?
The IUPAC name of methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate (CID 10774882) is methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate.
What is the SMILES notation for methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate?
The canonical SMILES for methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate is COC(=O)C1CCCC12OC(N)=NC2=O.
What is the InChIKey of methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate?
The InChIKey is QRPOYYNLYWEYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-14-6(12)5-3-2-4-9(5)7(13)11-8(10)15-9/h5H,2-4H2,1H3,(H2,10,11,13).
What are the key properties of methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate?
methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate has a molecular weight of 212.20 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate is sourced from PubChem (CID 10774882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).