(3S,4S)-3-[2-(4-Methoxy-benzyl)-1-oxo-2,8-diaza-spiro[4.5]dec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic Acid Tert-Butyl Ester
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Basic information
- Standard SMILES
COc1ccc(CN2CCC3(CCN(C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4c4ccccc4)CC3)C2=O)cc1- InChIKey
JVSMBCDXWGLPQE-XTEPFMGCSA-N- Molecular formula
- C32H43N3O4
- Average molar mass
- 533.7 g/mol
Names & identifiers
- Preferred name
- (3S,4S)-3-[2-(4-Methoxy-benzyl)-1-oxo-2,8-diaza-spiro[4.5]dec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic Acid Tert-Butyl Ester
- IUPAC
- tert-butyl (3S,4S)-3-[[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-4-phenylpyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2343108JVSMBCDXWGLPQE-XTEPFMGCSA-N(3S,4S)-3-[2-(4-Methoxy-benzyl)-1-oxo-2,8-diaza-spiro[4.5]dec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic Acid Tert-Butyl Ester
Database identifiers
- PubChem CID
- 11284019
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 835
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Related reactions
2 records
Compound notes
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