| CAS Number | 273222-03-0 |
| Catalog Number | AG00I56C(AGN-PC-0WR2T3) |
| Chemical Name | (S)-2-((tert-Butoxycarbonyl)amino)-4-(pyridin-4-yl)butanoic acid |
| IUPAC Name | (2S)-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)/t11-/m0/s1 |
| InChI Key | RIORKFAJVAWLSJ-NSHDSACASA-N |
| MDL Number | MFCD01860677 |
| Molecular Formula | C14H20N2O4 |
| Molecular Weight | 280.3196 |
| SMILES | CC(C)(OC(N[C@H](C(O)=O)CCC1=CC=NC=C1)=O)C |
| Synonyms | 273222-03-0,
(S)-2-((tert-Butoxycarbonyl)amino)-4-(pyridin-4-yl)butanoic acid,
(S)-2-TERT-BUTOXYCARBONYLAMINO-4-PYRIDIN-4-YL-BUTYRIC ACID,
ZINC2385622,
MFCD01860677,
AB10065,
AS-43025,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number