Home Carboxys Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-(methylamino)-, 1,1-dimethylethyl ester, (3aα,5α,6aα)-

Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-(methylamino)-, 1,1-dimethylethyl ester, (3aα,5α,6aα)-

CAS No.:
1446021-66-4
Catalog Number:
AG00IL79
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
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Product Description
Catalog Number:
AG00IL79
Chemical Name:
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-(methylamino)-, 1,1-dimethylethyl ester, (3aα,5α,6aα)-
CAS Number:
1446021-66-4
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
IUPAC Name:
tert-butyl (3aR,6aS)-5-(methylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
InChI:
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-9-5-11(14-4)6-10(9)8-15/h9-11,14H,5-8H2,1-4H3/t9-,10+,11?
InChI Key:
XMTRPEYIALXYDZ-ZACCUICWSA-N
SMILES:
CN[C@@H]1C[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
240.184g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.347g/mol
Monoisotopic Mass:
240.184g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties