Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nn1cccc1C(N)=O- InChIKey
KCKBKCUPSLLINO-NSHDSACASA-N- Molecular formula
- C15H22N4O4
- Average molar mass
- 322.36 g/mol
- Monoisotopic mass
- 322.1641052
Names & identifiers
- Preferred name
- (S)-tert-Butyl 2-(2-carbamoyl-1H-pyrrol-1-ylcarbamoyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S)-2-[(2-carbamoylpyrrol-1-yl)carbamoyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL8127602KCKBKCUPSLLINO-NSHDSACASA-NDS-018163(S)-tert-Butyl 2-(2-carbamoyl-1H-pyrrol-1-ylcarbamoyl)pyrrolidine-1-carboxylate1072811-51-8
Database identifiers
- PubChem CID
- 59313671
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 488
Related reactions
1 records
Compound notes
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