tert-butyl 4-amino-1H-pyrrole-2-carboxylate
Basic information
- CAS
959750-80-2- Standard SMILES
CC(C)(C)OC(=O)c1cc(N)c[nH]1- InChIKey
YZPNXLIDSPYZLQ-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- tert-butyl 4-amino-1H-pyrrole-2-carboxylate
- IUPAC
- tert-butyl 4-amino-1H-pyrrole-2-carboxylate
Names & synonyms
tert-butyl 4-amino-1H-pyrrole-2-carboxylate959750-80-2SCHEMBL1184047DTXSID701228945AKOS010564572CS-0289372EN300-50343481,1-Dimethylethyl 4-amino-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
959750-80-2- PubChem CID
- 61310600
- DTXSID
DTXSID701228945
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
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Compound notes
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