Glycine, N-(4-fluorobenzoyl)-, methyl ester
Basic information
- CAS
126860-93-3- Standard SMILES
COC(=O)CNC(=O)c1ccc(F)cc1- InChIKey
CUPZCSJVRWUUDJ-UHFFFAOYSA-N- Molecular formula
- C10H10FNO3
- Average molar mass
- 211.19 g/mol
- Monoisotopic mass
- 211.06447134
Names & identifiers
- Preferred name
- Glycine, N-(4-fluorobenzoyl)-, methyl ester
- IUPAC
- methyl 2-[(4-fluorobenzoyl)amino]acetate
Names & synonyms
Glycine, N-(4-fluorobenzoyl)-, methyl estermethyl 2-(4-fluorobenzamido)acetate126860-93-3methyl 2-[(4-fluorobenzoyl)amino]acetate(4-Fluoro-benzoylamino)-acetic acid methyl esterMLS000779827F3096-1359CHEMBL1898538SCHEMBL19472394CUPZCSJVRWUUDJ-UHFFFAOYSA-NDTXSID801330620HMS2792H13
Show more names
Methyl N-(4-fluorobenzoyl)glycinateSTL099038AKOS001090878SMR000419973methyl N-[(4-fluorophenyl)carbonyl]glycinateST45240682methyl 2-[(4-fluorophenyl)carbonylamino]acetateZ20188124
Database identifiers
- CAS
126860-93-3- PubChem CID
- 531397
- DTXSID
DTXSID801330620- ChEMBL
CHEMBL1898538
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
Solubility27.1 [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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