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Compound FL0081

CAT: 0013-GTR19269703-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269703-01Size:25 mg
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Description
Compound FL0081, with CAS No. 863600-81-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0081 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
863600-81-1
Purity
99.79% (May vary between batches)
Smiles
[H][C@@]12C[C@H] (N) C[C@]1 ([H]) CN (C2) C (=O) OC (C) (C) C
Molecular Formula
C12H22N2O2
Molecular Weight
226.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3aR,5r,6aS)-tert-butyl 5-aminohexahydrocyclopenta(c)pyrrole-2(1H)-carboxylate
CAS Number863600-81-1
PubChem CID58147576
IUPAC Nametert-butyl (3aR,6aS)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
Molecular FormulaC12H22N2O2
Molecular Weight226.32
XLogP1
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity271
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC(C[C@H]2C1)N
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-8-4-10(13)5-9(8)7-14/h8-10H,4-7,13H2,1-3H3/t8-,9+,10?
InChIKey
DPYIUHWPQGIBSS-ULKQDVFKSA-N
Chemical Structure
2D Structure
2D structure of (3aR,5r,6aS)-tert-butyl 5-aminohexahydrocyclopenta(c)pyrrole-2(1H)-carboxylate
CAS: 863600-81-1
CID: 58147576
Formula: C12H22N2O2
MW: 226.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.32
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass226.168127949
Monoisotopic Mass226.168127949
Topological Polar Surface Area55.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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