| CAS Number | 65415-01-2 |
| Catalog Number | AG01AHO9 |
| Chemical Name | 2-(2-Phenylacetamido)pentanoic acid |
| IUPAC Name | 2-[(2-phenylacetyl)amino]pentanoic acid |
| InChI | InChI=1S/C13H17NO3/c1-2-6-11(13(16)17)14-12(15)9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,14,15)(H,16,17) |
| InChI Key | KTTWUNXJQQFZLT-UHFFFAOYSA-N |
| MDL Number | MFCD12096975 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | CCCC(C(O)=O)NC(CC1=CC=CC=C1)=O |
| Synonyms | 2-(2-phenylacetamido)pentanoic acid,
65415-01-2,
SCHEMBL16114852,
AKOS009821531,
MCULE-7655453267,
NE27749,
EN300-75313,
Z1259335768,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number