| CAS Number | 1404736-14-6 |
| Catalog Number | AG01C4ZF |
| Chemical Name | 2-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid |
| IUPAC Name | 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid |
| InChI | InChI=1S/C12H23NO4/c1-6-8(2)7-9(10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15) |
| InChI Key | MWOMAVYZRMNVDD-UHFFFAOYSA-N |
| MDL Number | MFCD19401088 |
| Molecular Formula | C12H23NO4 |
| Molecular Weight | 245.3153 |
| SMILES | CCC(CC(C(O)=O)NC(OC(C)(C)C)=O)C |
| Synonyms | 2-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid,
1404736-14-6,
AKOS013465631,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.319g/mol |
| Monoisotopic Mass | 245.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number