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Compound FL0221

CAT: 0931-FL0221-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0221-02Size:25 mg
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CAS Number
1234616-51-3
Bioactivity
Compound FL0221, with CAS No. 1234616-51-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0221 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.
Smiles
CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)C2
Molecular Formula
C11H18N2O3
Molecular Weight
226.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,1-Dimethylethyl 7-oxo-2,6-diazaspiro(3.4)octane-2-carboxylate
CAS Number1234616-51-3
PubChem CID56777107
IUPAC Nametert-butyl 6-oxo-2,7-diazaspiro[3.4]octane-2-carboxylate
Molecular FormulaC11H18N2O3
Molecular Weight226.27
XLogP0
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity327
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2
InChI
InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-8(14)12-5-11/h4-7H2,1-3H3,(H,12,14)
InChIKey
IRALTYPUIGPWFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Dimethylethyl 7-oxo-2,6-diazaspiro(3.4)octane-2-carboxylate
CAS: 1234616-51-3
CID: 56777107
Formula: C11H18N2O3
MW: 226.27
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass226.13174244
Monoisotopic Mass226.13174244
Topological Polar Surface Area58.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity327
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FL0121-01Compound FL0121
FL0223-01Compound FL0223
FL0229-01Compound FL0229
FL0241-01Compound FL0241
FL0201-01Compound FL0201
FL0218-01Compound FL0218
FL0280-01Compound FL0280
FL0290-01Compound FL0290
FL0023-01Compound FL0023
FL0122-01Compound FL0122

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