(2-Oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate
Basic information
- CAS
502704-44-1- Standard SMILES
Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCCC1- InChIKey
NFMFEUVPYVMOEC-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O3
- Average molar mass
- 282.72 g/mol
- Monoisotopic mass
- 282.07712
Names & identifiers
- Preferred name
- (2-Oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate
- IUPAC
- (2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate
Names & synonyms
(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoateEnamine_004770Oprea1_175813MLS001177848CHEMBL1312341DTXSID901328919HMS1407I18AKOS008908794502704-44-1SMR000589544AB00715635-01SR-01000038521
Show more names
SR-01000038521-1Z197998302-oxo-2-(pyrrolidin-1-yl)ethyl 2-amino-4-chlorobenzoate
Database identifiers
- CAS
502704-44-1- PubChem CID
- 2371657
- DTXSID
DTXSID901328919- ChEMBL
CHEMBL1312341
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
Solubility21.4 [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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