Name: Name:(1S,5S)-tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
Brand: Angene
SKU: AG00IJ9K
Rating: 90 (10 reviews)

(1S,5S)-tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

CAS No.:

956276-42-9

Catalog Number:

AG00IJ9K

Molecular Formula:

C10H18N2O2

Molecular Weight:

198.2621

Catalog Number:

AG00IJ9K

Chemical Name:

(1S,5S)-tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

CAS Number:

956276-42-9

Molecular Formula:

C10H18N2O2

Molecular Weight:

198.2621

IUPAC Name:

tert-butyl (1S,5S)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

InChI:

InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-7-4-11-8(7)6-12/h7-8,11H,4-6H2,1-3H3/t7-,8+/m0/s1

InChI Key:

YKGWXZRHRQUYTA-JGVFFNPUSA-N

SMILES:

O=C(N1C[C@@H]2[C@H](C1)CN2)OC(C)(C)C

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.266g/mol

Monoisotopic Mass:

198.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6