Basic information
- Standard SMILES
Cc1cc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)sc1Br- InChIKey
TZBADXMCSIUYNH-LLVKDONJSA-N- Molecular formula
- C16H23BrN2O3S
- Average molar mass
- 403.3 g/mol
Names & identifiers
- Preferred name
- (R)-3-{[(5-bromo-4-methyl-thiophene-2-carbonyl)-amino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3R)-3-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL3448647TZBADXMCSIUYNH-LLVKDONJSA-N(R)-3-{[(5-bromo-4-methyl-thiophene-2-carbonyl)-amino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58748237
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Related reactions
1 records
Compound notes
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