| CAS Number | 83509-86-8 |
| Catalog Number | AG019P3V(AGN-PC-04YO45) |
| Chemical Name | 3-(Phenylformamido)butanoic acid |
| IUPAC Name | 3-benzamidobutanoic acid |
| InChI | InChI=1S/C11H13NO3/c1-8(7-10(13)14)12-11(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14) |
| InChI Key | UKRUGGNUDYQEGF-UHFFFAOYSA-N |
| MDL Number | MFCD09383882 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | CC(NC(C1=CC=CC=C1)=O)CC(O)=O |
| Synonyms | 3-(phenylformamido)butanoic acid,
N-benzoyl-3-aminobutyric acid,
83509-86-8,
3-(benzoylamino)butanoic acid,
beta-benzamidobutyric acid,
3-(Benzoylamino)butyric acid,
SCHEMBL7670820,
CTK6A6451,
UKRUGGNUDYQEGF-UHFFFAOYSA-N,
AKOS000118159,
AKOS017272763,
MCULE-6234387680,
NE44349,
EN300-18623,
Z85971724,
AC1Q1QY7,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.089543g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.23g/mol |
| Monoisotopic Mass | 207.089543g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number