| CAS Number | 1822533-14-1 |
| Catalog Number | AG01C4NX |
| Chemical Name | 7-amino-2-{[(tert-butoxy)carbonyl]amino}heptanoic acid |
| IUPAC Name | 7-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid |
| InChI | InChI=1S/C12H24N2O4/c1-12(2,3)18-11(17)14-9(10(15)16)7-5-4-6-8-13/h9H,4-8,13H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | NTXXFCGREVWJGJ-UHFFFAOYSA-N |
| MDL Number | MFCD24543374 |
| Molecular Formula | C12H24N2O4 |
| Molecular Weight | 260.33 |
| SMILES | CC(OC(NC(C(O)=O)CCCCCN)=O)(C)C |
| Synonyms | 7-amino-2-{[(tert-butoxy)carbonyl]amino}heptanoic acid,
1822533-14-1,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.334g/mol |
| Monoisotopic Mass | 260.174g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
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