| CAS Number | 129042-97-3 |
| Catalog Number | AG01DTC0(AGN-PC-0PIXAJ) |
| Chemical Name | Methyl 3-amino-5-phenylpentanoate |
| IUPAC Name | methyl 3-amino-5-phenylpentanoate |
| InChI | InChI=1S/C12H17NO2/c1-15-12(14)9-11(13)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3 |
| InChI Key | XSSNVSFNSNFGFA-UHFFFAOYSA-N |
| MDL Number | MFCD18907139 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | O=C(OC)CC(N)CCC1=CC=CC=C1 |
| Synonyms | methyl 3-amino-5-phenylpentanoate,
methyl (3S)-3-amino-5-phenylpentanoate,
129042-97-3,
170726-18-8,
SCHEMBL8170975,
AKOS017550565,
Benzenepentanoic acid, b-amino-, methyl ester,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number