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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Related Compounds

(2-bromo-4-methoxyphenyl)methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate
CID 10548813
trans-methyl (1R,2R)-2-amino-2-methylcyclohexane-1-carboxylate
CID 96839903
methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
CID 124705910
cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate
CID 10986985
dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
CID 139085135
methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate
CID 10857326
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
methyl (1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]heptane-6-carboxylate
CID 134918792
dimethyl 2-methoxyoxane-2,3-dicarboxylate
CID 156770328
methyl (4R,5R,12R)-4-acetyl-7,10-dioxadispiro[4.0.46.25]dodecane-12-carboxylate
CID 101093489
methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate
CID 21443736
methyl (1R)-2,2-dimethyl-3-oxocyclopentane-1-carboxylate
CID 14805634

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).