Name: Name:2-Azabicyclo[2.2.2]octane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) ester
Brand: Angene
SKU: AG000N4W
Rating: 90 (10 reviews)

2-Azabicyclo[2.2.2]octane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) ester

CAS No.:

1250997-05-7

Catalog Number:

AG000N4W

Molecular Formula:

C13H20NO4-

Molecular Weight:

254.3022

Catalog Number:

AG000N4W

Chemical Name:

2-Azabicyclo[2.2.2]octane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) ester

CAS Number:

1250997-05-7

Molecular Formula:

C13H20NO4-

Molecular Weight:

254.3022

MDL Number:

MFCD18089871

IUPAC Name:

2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-6-carboxylic acid

InChI:

InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-7-8-4-5-10(14)9(6-8)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)

InChI Key:

BICQNBQLGTZYCQ-UHFFFAOYSA-N

SMILES:

[O-]C(=O)C1CC2CCC1N(C2)C(=O)OC(C)(C)C

Complexity:

361

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.314g/mol

Monoisotopic Mass:

255.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6