5,8-Diazaspiro[2.6]nonane-5,8-dicarboxylic acid, 1-(aminomethyl)-, 5-(1,1-dimethylethyl) 8-(phenylmethyl) ester
Basic information
- CAS
1273568-13-0- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)CC2(CC2CN)C1- InChIKey
WWWBCELCWRRMOE-UHFFFAOYSA-N- Molecular formula
- C21H31N3O4
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.23145648
Names & identifiers
- Preferred name
- 5,8-Diazaspiro[2.6]nonane-5,8-dicarboxylic acid, 1-(aminomethyl)-, 5-(1,1-dimethylethyl) 8-(phenylmethyl) ester
- IUPAC
- 5-O-benzyl 8-O-tert-butyl 2-(aminomethyl)-5,8-diazaspiro[2.6]nonane-5,8-dicarboxylate
Names & synonyms
DTXSID3011078941273568-13-05,8-Diazaspiro[2.6]nonane-5,8-dicarboxylic acid, 1-(aminomethyl)-, 5-(1,1-dimethylethyl) 8-(phenylmethyl) ester
Database identifiers
- CAS
1273568-13-0- PubChem CID
- 165367356
- DTXSID
DTXSID301107894
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 570
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Compound notes
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