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1018443-32-7 | Pyrrolo[3,4-b]pyrrole-1(2H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-
CAS No: 1018443-32-7 Catalog No: AG0005PH MDL No:MFCD18917061
Product Description
Catalog Number:
AG0005PH
Chemical Name:
Pyrrolo[3,4-b]pyrrole-1(2H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-
CAS Number:
1018443-32-7
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.2887
MDL Number:
MFCD18917061
IUPAC Name:
tert-butyl (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
InChI:
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-4-8-6-12-7-9(8)13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChI Key:
OIKZNKIPPFFTKA-DTWKUNHWSA-N
SMILES:
O=C(N1CC[C@H]2[C@@H]1CNC2)OC(C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
212.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.293g/mol
Monoisotopic Mass:
212.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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