1-Pyrrolidinecarboxylic acid, phenyl ester
Basic information
- CAS
55379-71-0- Standard SMILES
O=C(Oc1ccccc1)N1CCCC1- InChIKey
FYQGHJHASJALLI-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 1-Pyrrolidinecarboxylic acid, phenyl ester
- IUPAC
- phenyl pyrrolidine-1-carboxylate
- English name
- Pyrrolidine-1-carboxylic acid phenyl ester
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
55379-71-01-Pyrrolidinecarboxylic acid, phenyl esterDTXSID50203923RefChem:235235DTXCID80126414phenyl pyrrolidine-1-carboxylatePyrrolidine-1-carboxylic acid phenyl esterMFCD00276291HMS1522E08Maybridge4_000448PYRROLIDINE-1-CARBOXYLICACIDPHENYLESTERMLS001181480
Show more names
Phenyl 1-pyrrolidinecarboxylateSCHEMBL1578826SCHEMBL7226854SCHEMBL7228152SCHEMBL7507842CHEMBL1704491phenyl pyrrolidin-1-ylcarboxylatephenoxy-pyrrolidin-1-yl-methanone
Database identifiers
- CAS
55379-71-0- PubChem CID
- 94574
- DTXSID
DTXSID50203923- ChEMBL
CHEMBL1704491- Nikkaji
- J490.454K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
LogP2.73
Solubility24.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
Related reactions
2 records
Compound notes
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