Basic information
- Standard SMILES
C[C@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)OC(C)(C)C)cc1- InChIKey
YWFNRISASZANFC-HNNXBMFYSA-N- Molecular formula
- C21H25NO4
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-((1S)-1-{[(benzyloxy)carbonyl]amino}ethyl)benzoate
- IUPAC
- tert-butyl 4-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]benzoate
Names & synonyms
SCHEMBL4446738YWFNRISASZANFC-HNNXBMFYSA-Ntert-Butyl 4-((1S)-1-{[(benzyloxy)carbonyl]amino}ethyl)benzoate
Database identifiers
- PubChem CID
- 69048022
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 457
Related reactions
2 records
Compound notes
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