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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(/C=C/C(=O)O)cc1C(=O)N2Cc1ccccc1- InChIKey
QJJHSQGBXTXVIH-ZRDIBKRKSA-N- Molecular formula
- C27H30N2O6
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.21038668
Names & identifiers
- Preferred name
- (E)-3-{1'-tert-butoxycarbonyl-3,4-dihydro-3-benzyl-4-oxo-spiro[2H-(1,3)-benzoxazine-2,4'-piperidin]-6-yl}-acrylic acid
- IUPAC
- (E)-3-[3-benzyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-6-yl]prop-2-enoic acid
Names & synonyms
SCHEMBL1176029QJJHSQGBXTXVIH-ZRDIBKRKSA-N(E)-3-{1'-tert-butoxycarbonyl-3,4-dihydro-3-benzyl-4-oxo-spiro[2H-(1,3)-benzoxazine-2,4'-piperidin]-6-yl}-acrylic acid
Database identifiers
- PubChem CID
- 66932425
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 820
Related reactions
2 records
Compound notes
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