| CAS Number | 1103337-57-0 |
| Catalog Number | AG01E7CD |
| Chemical Name | 3-carbamoyl-2-[(2-fluorophenyl)formamido]propanoic acid |
| IUPAC Name | 4-amino-2-[(2-fluorobenzoyl)amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C11H11FN2O4/c12-7-4-2-1-3-6(7)10(16)14-8(11(17)18)5-9(13)15/h1-4,8H,5H2,(H2,13,15)(H,14,16)(H,17,18) |
| InChI Key | KPEGVJBOQKWKMJ-UHFFFAOYSA-N |
| MDL Number | MFCD09048817 |
| Molecular Formula | C11H11FN2O4 |
| Molecular Weight | 254.2144 |
| SMILES | C1=CC=C(C(=C1)C(=O)NC(CC(=O)N)C(=O)O)F |
| Synonyms | 3-carbamoyl-2-[(2-fluorophenyl)formamido]propanoic acid,
AKOS000132585,
AKOS017272662,
SEL10021775,
EN300-263127,
Z85901468,
1103337-57-0,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.217g/mol |
| Monoisotopic Mass | 254.07g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number