Name: Name:(3S,5S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
Brand: Angene
SKU: AG019EMY
Rating: 90 (10 reviews)

(3S,5S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

CAS No.:

1272757-92-2

Catalog Number:

AG019EMY

Molecular Formula:

C12H18FNO4

Molecular Weight:

259.2740

Catalog Number:

AG019EMY

Chemical Name:

(3S,5S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

CAS Number:

1272757-92-2

Molecular Formula:

C12H18FNO4

Molecular Weight:

259.2740

MDL Number:

MFCD28390375

IUPAC Name:

5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

InChI:

InChI=1S/C12H18FNO4/c1-12(2,3)18-11(17)14-6-4-7(8(13)5-6)9(14)10(15)16/h6-9H,4-5H2,1-3H3,(H,15,16)

InChI Key:

ZZOLHPFGDKIOCE-UHFFFAOYSA-N

SMILES:

OC(=O)[C@@H]1C2CC(N1C(=O)OC(C)(C)C)C[C@@H]2F

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.277g/mol

Monoisotopic Mass:

259.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7