| CAS Number | 147218-37-9 |
| Catalog Number | AG019XQ0(AGN-PC-05XNZI) |
| Chemical Name | 3-methyl-2-[(pyridin-4-yl)formamido]butanoic acid |
| IUPAC Name | 3-methyl-2-(pyridine-4-carbonylamino)butanoic acid |
| InChI | InChI=1S/C11H14N2O3/c1-7(2)9(11(15)16)13-10(14)8-3-5-12-6-4-8/h3-7,9H,1-2H3,(H,13,14)(H,15,16) |
| InChI Key | WYMJYCCLJLFXGK-UHFFFAOYSA-N |
| MDL Number | MFCD00448262 |
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.2405 |
| SMILES | CC(C(C(O)=O)NC(C1=CC=NC=C1)=O)C |
| Synonyms | 3-methyl-2-(pyridin-4-ylformamido)butanoic acid,
147218-37-9,
AC1NAVMK,
AC1Q1O5V,
3-methyl-2-(pyridine-4-carbonylamino)butanoic Acid,
SCHEMBL7269028,
CTK6A3739,
AKOS000127663,
AKOS016055135,
MCULE-9378764112,
NE58167,
NCGC00332437-01,
EN300-55747,
AB01325884-02,
2-(ISONICOTINOYLAMINO)-3-METHYLBUTANOIC ACID,
3-methyl-2-[(pyridin-4-yl)formamido]butanoic acid,
Z228588964,
CID4483390,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.244g/mol |
| Monoisotopic Mass | 222.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number