| CAS Number | 1308958-74-8 |
| Catalog Number | AG01B86P |
| Chemical Name | (2R)-2-(3-phenylpropanamido)propanoic acid |
| IUPAC Name | 2-(3-phenylpropanoylamino)propanoic acid |
| InChI | InChI=1S/C12H15NO3/c1-9(12(15)16)13-11(14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)(H,15,16) |
| InChI Key | WHQOVJKEOBDJIV-UHFFFAOYSA-N |
| MDL Number | MFCD16050450 |
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.2524 |
| SMILES | C[C@H](C(O)=O)NC(CCC1=CC=CC=C1)=O |
| Synonyms | 2-(3-phenylpropanamido)propanoic acid,
54759-57-8,
(2R)-2-(3-phenylpropanamido)propanoic acid,
1308958-74-8,
Oprea1_633937,
N-(3-phenylpropanoyl)alanine,
SCHEMBL4323367,
AKOS000138272,
AKOS016050944,
SR-01000510113,
SR-01000510113-1,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.256g/mol |
| Monoisotopic Mass | 221.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number