| CAS Number | 473924-63-9 |
| Catalog Number | AG01A1RG(AGN-PC-0RV5EI) |
| Chemical Name | 2-({[(Tert-Butoxy)Carbonyl]Amino}Methyl)Pyridine-4-Carboxylic Acid |
| IUPAC Name | 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-7-9-6-8(10(15)16)4-5-13-9/h4-6H,7H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | XOYAJAPRHQNEMS-UHFFFAOYSA-N |
| MDL Number | MFCD11044225 |
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.2664 |
| SMILES | CC(C)(OC(NCC1=NC=CC(C(O)=O)=C1)=O)C |
| Synonyms | 473924-63-9,
2-({[(tert-butoxy)carbonyl]amino}methyl)pyridine-4-carboxylic acid,
2-(((tert-Butoxycarbonyl)amino)methyl)isonicotinic acid,
SCHEMBL508770,
ZINC72206877,
AKOS017555503,
MCULE-9409446602,
NE14848,
Z1695799448,
2-[[(tert-butoxycarbonyl)amino]methyl]isonicotinic acid,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.27g/mol |
| Monoisotopic Mass | 252.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number