Products for Research Use Only

Compound FL0209

CAT: 0013-GTR19269750-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269750-02Size:5 mg
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Description
Compound FL0209, with CAS No. 130966-46-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0209 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
130966-46-0
Purity
99.23% (May vary between batches)
Smiles
COC (=O) [C@@H]1[C@H] (O) CCN1C (=O) OC (C) (C) C
Molecular Formula
C11H19NO5
Molecular Weight
245.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2-Pyrrolidinedicarboxylic acid, 3-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,3S)-rel-
CAS Number130966-46-0
PubChem CID10988545
IUPAC Name1-O-tert-butyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
Molecular FormulaC11H19NO5
Molecular Weight245.27
XLogP1.1
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity309
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H]1C(=O)OC)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-5-7(13)8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKey
SVSSZFBZFUSINI-SFYZADRCSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Pyrrolidinedicarboxylic acid, 3-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,3S)-rel-
CAS: 130966-46-0
CID: 10988545
Formula: C11H19NO5
MW: 245.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight245.27
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass245.12632271
Monoisotopic Mass245.12632271
Topological Polar Surface Area76.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity309
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