Home Other Building Blocks tert-butyl N-[(3aS,6R,6aR)-octahydrocyclopenta[b]pyrrol-6-yl]carbamate

tert-butyl N-[(3aS,6R,6aR)-octahydrocyclopenta[b]pyrrol-6-yl]carbamate

CAS No.:
2059915-53-4
Catalog Number:
AG01BOVM
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
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Product Description
Catalog Number:
AG01BOVM
Chemical Name:
tert-butyl N-[(3aS,6R,6aR)-octahydrocyclopenta[b]pyrrol-6-yl]carbamate
CAS Number:
2059915-53-4
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD31700468
IUPAC Name:
tert-butyl N-[(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]carbamate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-5-4-8-6-7-13-10(8)9/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9?,10-/m0/s1
InChI Key:
GEDZHUPGNTZCPE-SMILAEQMSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CC[C@@H]2[C@H]1NCC2
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties