(S)-methyl 6-oxo-6,6a,7,8-tetrahydro-5H-azeto[1,2-a]pyrido[3,2-e]pyrazine-3-carboxylate

HCID 58324364
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Basic information

Standard SMILES
COC(=O)c1cnc2c(c1)NC(=O)[C@@H]1CCN21
InChIKey
YAYJQNLWLSKJTB-QMMMGPOBSA-N
Molecular formula
C11H11N3O3
Average molar mass
233.22 g/mol

Names & identifiers

Preferred name
(S)-methyl 6-oxo-6,6a,7,8-tetrahydro-5H-azeto[1,2-a]pyrido[3,2-e]pyrazine-3-carboxylate
IUPAC
methyl (5S)-6-oxo-2,7,12-triazatricyclo[6.4.0.02,5]dodeca-1(8),9,11-triene-10-carboxylate

Names & synonyms

SCHEMBL707736YAYJQNLWLSKJTB-QMMMGPOBSA-N(S)-methyl 6-oxo-6,6a,7,8-tetrahydro-5H-azeto[1,2-a]pyrido[3,2-e]pyrazine-3-carboxylate

Database identifiers

PubChem CID
58324364

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
71.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
17

Related reactions

10 records
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Compound notes

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