Basic information
- Standard SMILES
COC(=O)c1c(Br)ccn1NC(=O)[C@H](C)NC(=O)OC(C)(C)C- InChIKey
HEGCBEBQSOIBMB-QMMMGPOBSA-N- Molecular formula
- C14H20BrN3O5
- Average molar mass
- 390.23 g/mol
Names & identifiers
- Preferred name
- (S)-Methyl 3-bromo-1-(2-(tert-butoxycarbonylamino)propanamido)-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 3-bromo-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pyrrole-2-carboxylate
Names & synonyms
SCHEMBL15771919HEGCBEBQSOIBMB-QMMMGPOBSA-N(S)-Methyl 3-bromo-1-(2-(tert-butoxycarbonylamino)propanamido)-1H-pyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 86722018
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Related reactions
5 records
Compound notes
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