Name: Name:Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-, methyl ester
Brand: Angene
SKU: AG0014GP
Rating: 90 (10 reviews)

Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-, methyl ester

CAS No.:

1332524-01-2

Catalog Number:

AG0014GP

Molecular Formula:

C13H17FN2O3

Molecular Weight:

268.2841

Catalog Number:

AG0014GP

Chemical Name:

Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-, methyl ester

CAS Number:

1332524-01-2

Molecular Formula:

C13H17FN2O3

Molecular Weight:

268.2841

MDL Number:

MFCD22581652

IUPAC Name:

methyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate

InChI:

InChI=1S/C13H17FN2O3/c1-13(2,12(18)19-4)16-8-5-6-9(10(14)7-8)11(17)15-3/h5-7,16H,1-4H3,(H,15,17)

InChI Key:

MLHUTKWFDCMHQO-UHFFFAOYSA-N

SMILES:

COC(=O)C(Nc1ccc(c(c1)F)C(=O)NC)(C)C

Complexity:

347

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.288g/mol

Monoisotopic Mass:

268.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8