| CAS Number | 273222-01-8 |
| Catalog Number | AG00BJQ3(AGN-PC-0R35CI) |
| Chemical Name | 2-{[(tert-butoxy)carbonyl]amino}-4-(pyridin-4-yl)butanoic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylbutanoic acid |
| InChI | InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(12(17)18)5-4-10-6-8-15-9-7-10/h6-9,11H,4-5H2,1-3H3,(H,16,19)(H,17,18) |
| InChI Key | RIORKFAJVAWLSJ-UHFFFAOYSA-N |
| MDL Number | MFCD01860513 |
| Molecular Formula | C14H20N2O4 |
| Molecular Weight | 280.3196 |
| SMILES | CC(OC(NC(C(O)=O)CCC1=CC=NC=C1)=O)(C)C |
| Synonyms | 273222-01-8,
2-TERT-BUTOXYCARBONYLAMINO-4-PYRIDIN-4-YL-BUTYRIC ACID,
2-((tert-Butoxycarbonyl)amino)-4-(pyridin-4-yl)butanoic acid,
SCHEMBL5797124,
CTK7I4969,
AKOS013465637,
BC222949,
SC-31281,
2-TERT-BUTOXYCARBONYLAMINO-4-PYRIDIN-4-YL-BUTYRIC,
(S)-2-((tert-Butoxycarbonyl)amino)-4-(pyridin-4-yl)butanoic acid,
273222-03-0,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.324g/mol |
| Monoisotopic Mass | 280.142g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 88.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number