| CAS Number | 42989-90-2 |
| Catalog Number | AG00CI9D |
| Chemical Name | 2-({[(tert-butoxy)carbonyl]amino}oxy)propanoic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoic acid |
| InChI | InChI=1S/C8H15NO5/c1-5(6(10)11)14-9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11) |
| InChI Key | NRYLENBEAWHHMU-UHFFFAOYSA-N |
| MDL Number | MFCD24471920 |
| Molecular Formula | C8H15NO5 |
| Molecular Weight | 205.2084 |
| SMILES | CC(C(O)=O)ONC(OC(C)(C)C)=O |
| Synonyms | 42989-90-2,
CTK8I7235,
2-(((TERT-BUTOXYCARBONYL)AMINO)OXY)PROPANOIC ACID,
Propanoic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]oxy]- (9CI),
2-(tert-Butoxycarbonylaminooxy)propanoic acid,
Propanoicacid,2-[[[ carbonyl]amino]oxy]-,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.21g/mol |
| Monoisotopic Mass | 205.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number