(2-Oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate
Basic information
- CAS
556010-31-2- Standard SMILES
O=C(CNC(=O)c1ccccc1Cl)OC1CCOC1=O- InChIKey
CMOFHVSCYSGWCD-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO5
- Average molar mass
- 297.69 g/mol
- Monoisotopic mass
- 297.0404002
Names & identifiers
- Preferred name
- (2-Oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate
- IUPAC
- (2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate
Names & synonyms
(2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetateMLS000517042CHEMBL1449360DTXSID101332194HMS2692H24AKOS033673794556010-31-2SMR0003432112-Oxooxolan-3-yl N-(2-chlorobenzoyl)glycinateSR-01000044674SR-01000044674-1Z19312750
Database identifiers
- CAS
556010-31-2- PubChem CID
- 3908649
- DTXSID
DTXSID101332194- ChEMBL
CHEMBL1449360
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Solubility42.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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