Name: Name:(1S,4S)-5-Benzyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
Brand: Angene
SKU: AG00A846
Rating: 90 (10 reviews)

(1S,4S)-5-Benzyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

CAS No.:

132666-68-3

Catalog Number:

AG00A846

Molecular Formula:

C17H24N2O2

Molecular Weight:

288.3847

Catalog Number:

AG00A846

Chemical Name:

(1S,4S)-5-Benzyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

CAS Number:

132666-68-3

Molecular Formula:

C17H24N2O2

Molecular Weight:

288.3847

MDL Number:

MFCD16661213

IUPAC Name:

tert-butyl (1S,4S)-5-benzyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

InChI:

InChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-12-14-9-15(19)11-18(14)10-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m0/s1

InChI Key:

MSIWYWFJAALCQM-GJZGRUSLSA-N

SMILES:

O=C(N1C[C@@H]2C[C@H]1CN2Cc1ccccc1)OC(C)(C)C

Complexity:

385

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.184g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.391g/mol

Monoisotopic Mass:

288.184g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7