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Compound FL0228

CAT: 0013-GTR19269759-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269759-02Size:5 mg
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Description
Compound FL0228, with CAS No. 1363382-36-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0228 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
1363382-36-8
Purity
99.87% (May vary between batches)
Smiles
CC (C) (C) OC (=O) N1CCCC2 (CC2C (O) =O) C1
Molecular Formula
C13H21NO4
Molecular Weight
255.3101
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[(Tert-butoxy)carbonyl]-5-azaspiro[2.5]octane-1-carboxylic acid
CAS Number1363382-36-8
PubChem CID72208058
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.5]octane-2-carboxylic acid
Molecular FormulaC13H21NO4
Molecular Weight255.31
XLogP1.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity374
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CC2C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-5-13(8-14)7-9(13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
JKPWYFGEQHQKIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(Tert-butoxy)carbonyl]-5-azaspiro[2.5]octane-1-carboxylic acid
CAS: 1363382-36-8
CID: 72208058
Formula: C13H21NO4
MW: 255.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.31
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass255.14705815
Monoisotopic Mass255.14705815
Topological Polar Surface Area66.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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