N-[4-(Aminocarbonyl)-3-fluorophenyl]-2-methylalanine - CAS 1242137-20-7
Catalog: |
BB074943 |
Product Name: |
N-[4-(Aminocarbonyl)-3-fluorophenyl]-2-methylalanine |
CAS: |
1242137-20-7 |
Synonyms: |
2-((4-Carbamoyl-3-fluorophenyl)amino)-2-methylpropanoic acid; Alanine, N-[4-(aminocarbonyl)-3-fluorophenyl]-2-methyl-; N-[4-(Aminocarbonyl)-3-fluorophenyl]-2-methylalanine; 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid; 2-(4-carbamoyl-3-fluorophenylamino)-2-methylpropanoic acid |
IUPAC Name: | 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid |
Molecular Weight: | 240.23 |
Molecular Formula: | C11H13FN2O3 |
Canonical SMILES: | CC(C)(C(=O)O)NC1=CC(=C(C=C1)C(=O)N)F |
InChI: | InChI=1S/C11H13FN2O3/c1-11(2,10(16)17)14-6-3-4-7(9(13)15)8(12)5-6/h3-5,14H,1-2H3,(H2,13,15)(H,16,17) |
InChI Key: | XBQJUHYDJFUQBE-UHFFFAOYSA-N |
Solubility: | DMF, DMSO, Methanol |
Appearance: | Brown Solid |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.09102044 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.09102044 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 92.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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