| CAS Number | 1595014-12-2 |
| Catalog Number | AG01BFKD |
| Chemical Name | 2-amino-5-oxo-5-phenylpentanoic acid |
| IUPAC Name | 2-amino-5-oxo-5-phenylpentanoic acid |
| InChI | InChI=1S/C11H13NO3/c12-9(11(14)15)6-7-10(13)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15) |
| InChI Key | POKWVXDYJUTZMF-UHFFFAOYSA-N |
| MDL Number | MFCD28118624 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | NC(C(O)=O)CCC(C1=CC=CC=C1)=O |
| Synonyms | 2-amino-5-oxo-5-phenylpentanoic acid,
1595014-12-2,
SCHEMBL2850332,
AKOS033866298,
Z2327039914,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number