Basic information
- Standard SMILES
CC(=O)N[C@@]1(C(=O)NC(C)(C)C)CCC[C@@H]1CCCB1OC(C)(C)C(C)(C)O1- InChIKey
OUMNKVZBLGJKHW-IERDGZPVSA-N- Molecular formula
- C21H39BN2O4
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.3002879
Names & identifiers
- Preferred name
- (1S,2S)-1-acetamido-N-tert-butyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl)cyclopentanecarboxamide
- IUPAC
- trans-(1S,2S)-1-acetamido-N-tert-butyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentane-1-carboxamide
Names & synonyms
SCHEMBL6113756OUMNKVZBLGJKHW-IERDGZPVSA-N(1S,2S)-1-acetamido-N-tert-butyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl) cyclopentanecarboxamide(1S,2S)-1-acetamido-N-tert-butyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl)cyclopentanecarboxamide
Database identifiers
- PubChem CID
- 69669489
Properties
Computed structural properties
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 584
Related reactions
2 records
Linked notes
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