(4aR*,8aR*)-2-oxo-octahydro-pyrido[3,4-b][1,4]oxazine-6-carboxylic acid tert-butyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@H]2NC(=O)CO[C@@H]2C1- InChIKey
ADUCRLGBIFPAKD-RKDXNWHRSA-N- Molecular formula
- C12H20N2O4
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.14230712
Names & identifiers
- Preferred name
- (4aR*,8aR*)-2-oxo-octahydro-pyrido[3,4-b][1,4]oxazine-6-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (4aR,8aR)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate
Names & synonyms
SCHEMBL1218717ADUCRLGBIFPAKD-RKDXNWHRSA-N(4aR*,8aR*)-2-oxo-octahydro-pyrido[3,4-b][1,4]oxazine-6-carboxylic acid tert-butyl ester(4ar,8ar)-rel-tert-butyl 2-oxo-hexahydro-1h-pyrido[3,4-b][1,4]oxazine-6(7h)-carboxylate
Database identifiers
- PubChem CID
- 58745484
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
7 records
Compound notes
Loading…