| CAS Number | 1310680-18-2 |
| Catalog Number | AG00HSCF(AGN-PC-0WR0TN) |
| Chemical Name | 4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,3-dimethylbutanoic acid |
| IUPAC Name | 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChI | InChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12-7-11(4,5)6-8(13)14/h6-7H2,1-5H3,(H,12,15)(H,13,14) |
| InChI Key | MFKIFVQJZNMZJB-UHFFFAOYSA-N |
| MDL Number | MFCD18782814 |
| Molecular Formula | C11H21NO4 |
| Molecular Weight | 231.2887 |
| SMILES | CC(C)(C)OC(=O)NCC(C)(C)CC(=O)O |
| Synonyms | Boc-4-amino-3,3-dimethyl-butyric acid,
1310680-18-2,
SCHEMBL3049060,
MFKIFVQJZNMZJB-UHFFFAOYSA-N,
MFCD18782814,
ZINC44831651,
AKOS034070578,
4-[(tert-butoxycarbonyl)amino]-3,3-dimethylbutanoic acid,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.292g/mol |
| Monoisotopic Mass | 231.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number