Name: Name:8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001CU9
Rating: 90 (10 reviews)

8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester

CAS No.:

1408076-39-0

Catalog Number:

AG001CU9

Molecular Formula:

C12H19NO3

Molecular Weight:

225.2842

Catalog Number:

AG001CU9

Chemical Name:

8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester

CAS Number:

1408076-39-0

Molecular Formula:

C12H19NO3

Molecular Weight:

225.2842

MDL Number:

MFCD23105912

IUPAC Name:

tert-butyl 2-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

InChI:

InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-4-6-9(13)10(14)7-5-8/h8-9H,4-7H2,1-3H3

InChI Key:

SJGXXUBCKFNNGB-UHFFFAOYSA-N

SMILES:

O=C(N1C2CCC(=O)C1CC2)OC(C)(C)C

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.288g/mol

Monoisotopic Mass:

225.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6