| CAS Number | 732926-20-4 |
| Catalog Number | AG01ARFX(AGN-PC-0WCNO8) |
| Chemical Name | 2-{8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl}acetic acid |
| IUPAC Name | 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid |
| InChI | InChI=1S/C16H19N3O4/c20-13(21)11-19-14(22)16(17-15(19)23)6-8-18(9-7-16)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,23)(H,20,21) |
| InChI Key | SQVWAFNWFNAQLX-UHFFFAOYSA-N |
| MDL Number | MFCD09965537 |
| Molecular Formula | C16H19N3O4 |
| Molecular Weight | 317.3398 |
| SMILES | OC(CN1C(=O)C2(CCN(CC3=CC=CC=C3)CC2)NC1=O)=O |
| Synonyms | (8-Benzyl-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-3-yl)-acetic acid,
732926-20-4,
ZINC11612461,
AKOS015956314,
MCULE-7718266449,
L-3807,
F2142-0003,
{8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl}acetic acid,
|
| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.345g/mol |
| Monoisotopic Mass | 317.138g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number