Basic information
- Standard SMILES
CCOC(=O)c1cn(CCNC(=O)OC(C)(C)C)c(C(=O)OCC)c1OC- InChIKey
MYPHYYRXSCXPFB-UHFFFAOYSA-N- Molecular formula
- C18H28N2O7
- Average molar mass
- 384.4 g/mol
Names & identifiers
- Preferred name
- Diethyl 1-(2-(tert-butoxycarbonylamino)ethyl)-3-methoxy-1H-pyrrole-2,4-dicarboxylate
- IUPAC
- diethyl 3-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2,4-dicarboxylate
Names & synonyms
SCHEMBL2563051MYPHYYRXSCXPFB-UHFFFAOYSA-NDiethyl 1-(2-(tert-butoxycarbonylamino)ethyl)-3-methoxy-1H-pyrrole-2,4-dicarboxylate
Database identifiers
- PubChem CID
- 67453027
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 518
Related reactions
1 records
Compound notes
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