Name: Name:O3-tert-Butyl O6-methyl 3-azabicyclo[3.1.1]heptane-3,6-dicarboxylate
Brand: Angene
SKU: AG00HUJ4
Rating: 90 (10 reviews)

O3-tert-Butyl O6-methyl 3-azabicyclo[3.1.1]heptane-3,6-dicarboxylate

CAS No.:

1363380-75-9

Catalog Number:

AG00HUJ4

Molecular Formula:

C13H21NO4

Molecular Weight:

255.3101

Catalog Number:

AG00HUJ4

Chemical Name:

O3-tert-Butyl O6-methyl 3-azabicyclo[3.1.1]heptane-3,6-dicarboxylate

CAS Number:

1363380-75-9

Molecular Formula:

C13H21NO4

Molecular Weight:

255.3101

MDL Number:

MFCD21642061

IUPAC Name:

3-O-tert-butyl 6-O-methyl 3-azabicyclo[3.1.1]heptane-3,6-dicarboxylate

InChI:

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

InChI Key:

ZKYRFBYZYPHCPA-UHFFFAOYSA-N

SMILES:

COC(=O)C1C2CC1CN(C2)C(=O)OC(C)(C)C

Complexity:

349

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:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4