Home Carboxys (3aR,6aS)-tert-butyl 3a-aminohexahydrocyclopenta[b]pyrrole-1(2H)-carboxylate

(3aR,6aS)-tert-butyl 3a-aminohexahydrocyclopenta[b]pyrrole-1(2H)-carboxylate

CAS No.:
1251021-47-2
Catalog Number:
AG01DKCB
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
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Product Description
Catalog Number:
AG01DKCB
Chemical Name:
(3aR,6aS)-tert-butyl 3a-aminohexahydrocyclopenta[b]pyrrole-1(2H)-carboxylate
CAS Number:
1251021-47-2
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD15530208
IUPAC Name:
tert-butyl (3aR,6aS)-3a-amino-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-7-12(13)6-4-5-9(12)14/h9H,4-8,13H2,1-3H3/t9-,12+/m0/s1
InChI Key:
TUBKTTUXJKGATN-JOYOIKCWSA-N
SMILES:
O=C(N1CC[C@]2([C@@H]1CCC2)N)OC(C)(C)C
Properties
Complexity:
298  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties