Name: Name:3-benzyl 6-methyl 3-azabicyclo[3.1.1]heptane-3,6-dicarboxylate
Brand: Angene
SKU: AG01ACWQ
Rating: 90 (10 reviews)

3-benzyl 6-methyl 3-azabicyclo[3.1.1]heptane-3,6-dicarboxylate

CAS No.:

1803567-46-5

Catalog Number:

AG01ACWQ

Molecular Formula:

C16H19NO4

Molecular Weight:

289.3264

Catalog Number:

AG01ACWQ

Chemical Name:

3-benzyl 6-methyl 3-azabicyclo[3.1.1]heptane-3,6-dicarboxylate

CAS Number:

1803567-46-5

Molecular Formula:

C16H19NO4

Molecular Weight:

289.3264

MDL Number:

MFCD26936160

IUPAC Name:

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

InChI:

InChI=1S/C16H19NO4/c1-20-15(18)14-12-7-13(14)9-17(8-12)16(19)21-10-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3

InChI Key:

MJWWXSUOUGRPOI-UHFFFAOYSA-N

SMILES:

COC(=O)C1C2CC1CN(C2)C(=O)OCc1ccccc1

Complexity:

393

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

289.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.331g/mol

Monoisotopic Mass:

289.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9