(1-(tert-butoxycarbonyl)-5-(dimethylcarbamoyl)-1H-pyrrol-2-yl)boronic acid
Basic information
- Standard SMILES
CN(C)C(=O)c1ccc(B(O)O)n1C(=O)OC(C)(C)C- InChIKey
ZZAIQEKUDDZDMO-UHFFFAOYSA-N- Molecular formula
- C12H19BN2O5
- Average molar mass
- 282.1 g/mol
- Monoisotopic mass
- 282.1387019
Names & identifiers
- Preferred name
- (1-(tert-butoxycarbonyl)-5-(dimethylcarbamoyl)-1H-pyrrol-2-yl)boronic acid
- IUPAC
- [5-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]boronic acid
Names & synonyms
1491150-57-2(1-(tert-butoxycarbonyl)-5-(dimethylcarbamoyl)-1H-pyrrol-2-yl)boronic acidSCHEMBL15393086ZZAIQEKUDDZDMO-UHFFFAOYSA-NDB-116606
Database identifiers
- PubChem CID
- 89907989
Properties
Computed structural properties
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Related reactions
1 records
Compound notes
Loading…