Home Carboxys (1S,3Ar,6as)-tert-butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate

(1S,3Ar,6as)-tert-butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate

CAS No.:
907606-68-2
Catalog Number:
AG00IGA2
Molecular Formula:
C14H23NO6
Molecular Weight:
301.3355
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Product Description
Catalog Number:
AG00IGA2
Chemical Name:
(1S,3Ar,6as)-tert-butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate
CAS Number:
907606-68-2
Molecular Formula:
C14H23NO6
Molecular Weight:
301.3355
MDL Number:
MFCD22124391
IUPAC Name:
tert-butyl (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate;oxalic acid
InChI:
InChI=1S/C12H21NO2.C2H2O4/c1-12(2,3)15-11(14)10-9-6-4-5-8(9)7-13-10;3-1(4)2(5)6/h8-10,13H,4-7H2,1-3H3;(H,3,4)(H,5,6)/t8-,9-,10-;/m0./s1
InChI Key:
ZCTXDLWZMFBZEV-PUBMXKGKSA-N
SMILES:
O=C([C@H]1NC[C@H]2[C@@H]1CCC2)OC(C)(C)C.OC(=O)C(=O)O
EC Number:
618-641-5
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
301.153g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
301.339g/mol
Monoisotopic Mass:
301.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties