| CAS Number | 312924-82-6 |
| Catalog Number | AG01A9U7 |
| Chemical Name | 2-({[(pyridin-3-yl)methyl]carbamoyl}methoxy)acetic acid |
| IUPAC Name | 2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid |
| InChI | InChI=1S/C10H12N2O4/c13-9(6-16-7-10(14)15)12-5-8-2-1-3-11-4-8/h1-4H,5-7H2,(H,12,13)(H,14,15) |
| InChI Key | WYZOZULMZZOXIC-UHFFFAOYSA-N |
| MDL Number | MFCD01029152 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | OC(COCC(NCC1=CN=CC=C1)=O)=O |
| Synonyms | 2-{[(pyridin-3-ylmethyl)carbamoyl]methoxy}acetic acid,
312924-82-6,
AC1MUMNI,
AC1Q767Y,
ZINC5331413,
STK332425,
AKOS005440216,
MCULE-4135279655,
NE38614,
EN300-66159,
{2-oxo-2-[(pyridin-3-ylmethyl)amino]ethoxy}acetic acid,
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid,
CID3643287,
2-(pyridin-3-ylmethylcarbamoylmethoxy)acetic Acid,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.216g/mol |
| Monoisotopic Mass | 224.08g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 88.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number