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Compound FL0068

CAT: 0013-GTR19269697-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269697-03Size:10 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
Loading 3D structure...
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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