| CAS Number | 1152556-15-4 |
| Catalog Number | AG01BTRI |
| Chemical Name | 4-[N-methyl-1-(pyridin-4-yl)formamido]butanoic acid |
| IUPAC Name | 4-[methyl(pyridine-4-carbonyl)amino]butanoic acid |
| InChI | InChI=1S/C11H14N2O3/c1-13(8-2-3-10(14)15)11(16)9-4-6-12-7-5-9/h4-7H,2-3,8H2,1H3,(H,14,15) |
| InChI Key | XFDYHPBYZYAHSL-UHFFFAOYSA-N |
| MDL Number | MFCD11104301 |
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.2405 |
| SMILES | CN(C(C1=CC=NC=C1)=O)CCCC(O)=O |
| Synonyms | 4-[N-methyl-1-(pyridin-4-yl)formamido]butanoic acid,
1152556-15-4,
ZINC34973966,
AKOS009320278,
|
| Complexity | 250 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.244g/mol |
| Monoisotopic Mass | 222.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number