| CAS Number | 252720-36-8 |
| Catalog Number | AG01AXD4(AGN-PC-0WOHNA) |
| Chemical Name | Benzyl 2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxylate |
| IUPAC Name | benzyl 2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxylate |
| InChI | InChI=1S/C15H18N2O3/c18-13-10-15(16-13)6-8-17(9-7-15)14(19)20-11-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,18) |
| InChI Key | DDSVWHOHQXTBOF-UHFFFAOYSA-N |
| MDL Number | MFCD13184429 |
| Molecular Formula | C15H18N2O3 |
| Molecular Weight | 274.3150 |
| SMILES | O=C1NC2(C1)CCN(CC2)C(=O)OCC2=CC=CC=C2 |
| Synonyms | benzyl 2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxylate,
252720-36-8,
ZINC95077816,
AKOS032961037,
2-OXO-1,7-DIAZASPIRO[3.5]NONANE-7-CARBOXYLIC ACID, PHENYLMETHYL ESTER,
AM100574,
1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 2-oxo-, phenylmethyl ester,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.32g/mol |
| Monoisotopic Mass | 274.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number