| CAS Number | 1374669-60-9 |
| Catalog Number | AG01DTSP(AGN-PC-0WA2WF) |
| Chemical Name | (S)-3-(3-Fluoro-phenyl)-3-phenylacetylamino-propionic acid |
| IUPAC Name | (3S)-3-(3-fluorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid |
| InChI | InChI=1S/C17H16FNO3/c18-14-8-4-7-13(10-14)15(11-17(21)22)19-16(20)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2,(H,19,20)(H,21,22)/t15-/m0/s1 |
| InChI Key | WWUSKMOREPWLGC-HNNXBMFYSA-N |
| MDL Number | MFCD22377983 |
| Molecular Formula | C17H16FNO3 |
| Molecular Weight | 301.3122 |
| SMILES | O=C(O)C[C@H](NC(CC1=CC=CC=C1)=O)C2=CC=CC(F)=C2 |
| Synonyms | (S)-N-PHENYLACETYL-3-(M-FLUOROPHENYL)-BETA-ALANINE,
1374669-60-9,
MFCD22377983,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.317g/mol |
| Monoisotopic Mass | 301.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number