| CAS Number | 1353984-41-4 |
| Catalog Number | AG01DD48(AGN-PC-0WNTP0) |
| Chemical Name | 2-(4-(((tert-Butoxycarbonyl)amino)methyl)piperidin-1-yl)acetic acid |
| IUPAC Name | 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid |
| InChI | InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-8-10-4-6-15(7-5-10)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17) |
| InChI Key | GJYSGFHXOCCWOD-UHFFFAOYSA-N |
| MDL Number | MFCD21094959 |
| Molecular Formula | C13H24N2O4 |
| Molecular Weight | 272.3407 |
| SMILES | C(C)(C)(C)OC(=O)NCC1CCN(CC1)CC(=O)O |
| Synonyms | [4-(tert-Butoxycarbonylamino-methyl)-piperidin-1-yl]-acetic acid,
1353984-41-4,
2-(4-(((tert-Butoxycarbonyl)amino)methyl)piperidin-1-yl)acetic acid,
SCHEMBL3827155,
ZINC79410435,
AKOS027388582,
AM94690,
[4-(tert-Butoxycarbonylaminomethyl)piperidin-1-yl]acetic acid,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.345g/mol |
| Monoisotopic Mass | 272.174g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number