Basic information
- Standard SMILES
CCC1(C(=O)OC(C)(C)C)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21- InChIKey
KEZRMBQKOSSKML-UHFFFAOYSA-N- Molecular formula
- C22H27N3O5
- Average molar mass
- 413.5 g/mol
Names & identifiers
- Preferred name
- 3-Benzyloxycarbonylamino-6-ethyl-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid tert-butyl Ester
- IUPAC
- tert-butyl 6-ethyl-4-oxo-3-(phenylmethoxycarbonylamino)-7,8-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylate
Names & synonyms
SCHEMBL5901503KEZRMBQKOSSKML-UHFFFAOYSA-N3-Benzyloxycarbonylamino-6-ethyl-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid tert-butyl Ester
Database identifiers
- PubChem CID
- 69600549
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 761
Related reactions
4 records
Compound notes
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