Basic information
- CAS
791572-14-0- Standard SMILES
O=C(O)[C@H]1NC[C@H]2CCC[C@H]21- InChIKey
KWRNCAUXSJOYQO-QYNIQEEDSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Names & identifiers
- Preferred name
- (1S,3aS,6aR)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid
- IUPAC
- (3S,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
- English name
- Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, (1S,3aS,6aR)- (9CI)
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19432
Names & synonyms
791572-14-0(1S,3aS,6aR)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acidDTXSID50530544(1S,3aS,6aR)-Octahydrocyclopenta[c]pyrrole-1-carboxylicacidCyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, (1S,3aS,6aR)- (9CI)
Database identifiers
- CAS
791572-14-0- PubChem CID
- 13232016
- DTXSID
DTXSID50530544- Nikkaji
- J1.114.882D
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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