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Compound FL0227

CAT: 0013-GTR19269758-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269758-01Size:1 mg
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Description
Compound FL0227, with CAS No. 150543-61-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0227 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
150543-61-6
Purity
99.43% (May vary between batches)
Smiles
CC (C) (C) OC (=O) N1CCC2 (CC2C (O) =O) C1
Molecular Formula
C12H19NO4
Molecular Weight
241.2836
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[(Tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-1-carboxylic acid
CAS Number150543-61-6
PubChem CID21760135
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-2-carboxylic acid
Molecular FormulaC12H19NO4
Molecular Weight241.28
XLogP1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity360
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC2C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-5-4-12(7-13)6-8(12)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
QXRGGYBREHVBNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(Tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-1-carboxylic acid
CAS: 150543-61-6
CID: 21760135
Formula: C12H19NO4
MW: 241.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.28
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass241.13140809
Monoisotopic Mass241.13140809
Topological Polar Surface Area66.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity360
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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