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Compound FL0068

CAT: 0013-GTR19269697-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269697-01Size:1 mg
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Description
Compound FL0068, with CAS No. 1630907-13-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0068 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
1630907-13-9
Purity
99.81% (May vary between batches)
Smiles
Cl.[H][C@@]12C[C@@H] (N) C[C@]1 ([H]) CN (C2) C (=O) OC (C) (C) C
Molecular Formula
C12H23ClN2O2
Molecular Weight
262.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta(c)pyrrole-2-carboxylate;hydrochloride
CAS Number1630907-13-9
PubChem CID91663843
IUPAC Nametert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;hydrochloride
Molecular FormulaC12H23ClN2O2
Molecular Weight262.77
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity271
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC(C[C@H]2C1)N.Cl
InChI
InChI=1S/C12H22N2O2.ClH/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;1H/t8-,9+,10?;
InChIKey
QTIYWOFJLXOAGI-CVLICLBHSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta(c)pyrrole-2-carboxylate;hydrochloride
CAS: 1630907-13-9
CID: 91663843
Formula: C12H23ClN2O2
MW: 262.77
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.77
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass262.1448057
Monoisotopic Mass262.1448057
Topological Polar Surface Area55.6 Ų
Heavy Atom Count17
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 Count2
Compound Is CanonicalizedYes

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