| CAS Number | 1156424-49-5 |
| Catalog Number | AG01A9S0 |
| Chemical Name | 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]propanoic acid |
| IUPAC Name | 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C9H11N3O4/c13-6(3-4-7(14)15)10-9-12-11-8(16-9)5-1-2-5/h5H,1-4H2,(H,14,15)(H,10,12,13) |
| InChI Key | XROHUCKSBRCXHS-UHFFFAOYSA-N |
| MDL Number | MFCD12112379 |
| Molecular Formula | C9H11N3O4 |
| Molecular Weight | 225.2013 |
| SMILES | OC(CCC(NC1OC(C2CC2)=NN=1)=O)=O |
| Synonyms | 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]propanoic acid,
1156424-49-5,
AC1Q756K,
ZINC36900690,
AKOS009855235,
MCULE-7923860300,
NE46382,
EN300-65979,
Z1178484495,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.204g/mol |
| Monoisotopic Mass | 225.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number