Basic information
- CAS
380541-11-7- Standard SMILES
Cc1ccc(C(=O)OCC(=O)N2CCCC2)cc1- InChIKey
KYQCIFYXLPHBLJ-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- (2-Oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate
- IUPAC
- (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate
Names & synonyms
(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoateEnamine_002831Oprea1_802112MLS001172615CHEMBL1422778SCHEMBL18609171DTXSID401328902HMS1402A15HMS2892E03AKOS017001294380541-11-7SMR000589550
Show more names
AB00712441-012-oxo-2-(pyrrolidin-1-yl)ethyl 4-methylbenzoateSR-01000033803SR-01000033803-1Z18312469
Database identifiers
- CAS
380541-11-7- PubChem CID
- 2355165
- DTXSID
DTXSID401328902- ChEMBL
CHEMBL1422778
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
Solubility32.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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