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1251003-89-0 | Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-
CAS No: 1251003-89-0 Catalog No: AG000N5U MDL No:MFCD12198657
Product Description
Catalog Number:
AG000N5U
Chemical Name:
Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-
CAS Number:
1251003-89-0
Molecular Formula:
C11H18N2O3
Molecular Weight:
226.2722
MDL Number:
MFCD12198657
IUPAC Name:
tert-butyl (3aR,6aR)-3-oxo-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
InChI:
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-5-7-4-12-9(14)8(7)6-13/h7-8H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m1/s1
InChI Key:
BQFMMOCNINXPIC-SFYZADRCSA-N
SMILES:
O=C(N1C[C@H]2[C@@H](C1)CNC2=O)OC(C)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
226.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.276g/mol
Monoisotopic Mass:
226.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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