Propionic acid, 3-hydroxy-2-phenyl-, 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta(b)pyrrol-1-yl)ethyl ester
Basic information
- CAS
73200-49-4- Standard SMILES
O=C(OCCN1CCC2CCCC21)C(CO)c1ccccc1- InChIKey
JGMIGFQQDKCWGK-UHFFFAOYSA-N- Molecular formula
- C18H25NO3
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.18344366
Names & identifiers
- Preferred name
- Propionic acid, 3-hydroxy-2-phenyl-, 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta(b)pyrrol-1-yl)ethyl ester
- IUPAC
- 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl 3-hydroxy-2-phenylpropanoate
Names & synonyms
73200-49-4Propionic acid, 3-hydroxy-2-phenyl-, 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta(b)pyrrol-1-yl)ethyl esterRefChem:375238DTXSID609939242-(Hexahydrocyclopenta[b]pyrrol-1(2H)-yl)ethyl 3-hydroxy-2-phenylpropanoate
Database identifiers
- CAS
73200-49-4- PubChem CID
- 3055950
- DTXSID
DTXSID60993924- Nikkaji
- J92.685J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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