methyl (2S)-2-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxa-2-azaspiro[2.5]octan-2-yl]-3-phenylpropanoate
Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccccc1)N1O[C@]12CCCC[C@@H]2NC(=O)OC(C)(C)C- InChIKey
FHGQYJRGXRTTCZ-YXAVTHRPSA-N- Molecular formula
- C21H30N2O5
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.21547206
Names & identifiers
- Preferred name
- methyl (2S)-2-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxa-2-azaspiro[2.5]octan-2-yl]-3-phenylpropanoate
- IUPAC
- methyl (2S)-2-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxa-2-azaspiro[2.5]octan-2-yl]-3-phenylpropanoate
Database identifiers
- PubChem CID
- 395436
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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