| CAS Number | 1644301-24-5 |
| Catalog Number | AG01EKOG |
| Chemical Name | (2R)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid |
| IUPAC Name | (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid |
| InChI | InChI=1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)11-18(16)15(17(20)21)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)/t15-/m1/s1 |
| InChI Key | FZEBPJBRDFXKIH-OAHLLOKOSA-N |
| MDL Number | MFCD31431456 |
| Molecular Formula | C17H15NO3 |
| Molecular Weight | 281.3059 |
| SMILES | OC([C@H](N1C(=O)C2=C(C=CC=C2)C1)CC1=CC=CC=C1)=O |
| Synonyms | AC1OC94F,
CHEMBL3394804,
ZINC170229,
AJ-17435,
(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid,
(2R)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid,
(R)-3-Phenyl-2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)propanoic acid,
1644301-24-5,
CID6934209,
SMR000097543,
(2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid,
96017-10-6,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.311g/mol |
| Monoisotopic Mass | 281.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number