| CAS Number | 848242-88-6 |
| Catalog Number | AG019DZ6(AGN-PC-0OJD87) |
| Chemical Name | 4-(N-Boc-amino)-1,6-heptanedioic acid |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanedioic acid |
| InChI | InChI=1S/C12H21NO6/c1-12(2,3)19-11(18)13-8(4-6-9(14)15)5-7-10(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,14,15)(H,16,17) |
| InChI Key | CVMSTDAWIAVWJN-UHFFFAOYSA-N |
| MDL Number | MFCD23726631 |
| Molecular Formula | C12H21NO6 |
| Molecular Weight | 275.2982 |
| SMILES | CC(OC(NC(CCC(O)=O)CCC(O)=O)=O)(C)C |
| Synonyms | 4-(N-Boc-amino)-1,6-heptanedioic acid,
848242-88-6,
Heptanedioic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-,
SCHEMBL5691699,
ZINC96299618,
BP-21536,
OR323080,
Heptanedioicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.301g/mol |
| Monoisotopic Mass | 275.137g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number