| CAS Number | 359731-65-0 |
| Catalog Number | AG01AAED(AGN-PC-054H75) |
| Chemical Name | [(3-phenylpropyl)carbamoyl]formic acid |
| IUPAC Name | 2-oxo-2-(3-phenylpropylamino)acetic acid |
| InChI | InChI=1S/C11H13NO3/c13-10(11(14)15)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)(H,14,15) |
| InChI Key | ORPHFBQGVGAQOA-UHFFFAOYSA-N |
| MDL Number | MFCD10018434 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | OC(C(NCCCC1=CC=CC=C1)=O)=O |
| Synonyms | [(3-phenylpropyl)carbamoyl]formic acid,
359731-65-0,
Acetic acid, 2-oxo-2-[(3-phenylpropyl)amino]-,
AC1Q71N2,
SCHEMBL13860790,
N-(3-Phenylpropyl)oxamidic acid,
ZINC13435981,
AKOS008140693,
MCULE-1389434407,
NE34371,
EN300-68369,
Z1233201658,
|
| Complexity | 222 |
| 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 | 3 |
| 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 | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number