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benzyl (3aR,6aS)-hexahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxylate

benzyl (3aR,6aS)-hexahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxylate

CAS: 445310-01-0

Formula: C14H18N2O2

SMILES: [H][C@@]12CNC[C@]1([H])CN(C2)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (3aR,6aS)-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate

InChI: InChI=1S/C14H18N2O2/c17-14(18-10-11-4-2-1-3-5-11)16-8-12-6-15-7-13(12)9-16/h1-5,12-13,15H,6-10H2/t12-,13+

Composition: C (68.27%), H (7.37%), N (11.37%), O (12.99%)

Molar Mass: 246.31

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 246.136827828
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OQLOYGBBFHCQCX-BETUJISGSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.81
Topological Polar Surface Area 41.57
Polarizability 27.02
Ring Count 3
Rotatable Bond Count 3

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