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Compound FL0224

CAT: 0013-GTR19269756-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269756-01Size:1 mg
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Description
Compound FL0224, with CAS No. 150543-37-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0224 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
150543-37-6
Smiles
OC (=O) C1CC11CCN (C1) C (=O) OCc1ccccc1
Molecular Formula
C15H17NO4
Molecular Weight
275.2998
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[(Benzyloxy)carbonyl]-5-azaspiro[2.4]heptane-1-carboxylic acid
CAS Number150543-37-6
PubChem CID18412246
IUPAC Name5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid
Molecular FormulaC15H17NO4
Molecular Weight275.30
XLogP1.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity405
SMILES
C1CN(CC12CC2C(=O)O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H17NO4/c17-13(18)12-8-15(12)6-7-16(10-15)14(19)20-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18)
InChIKey
ATCSVGGHJWQTPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(Benzyloxy)carbonyl]-5-azaspiro[2.4]heptane-1-carboxylic acid
CAS: 150543-37-6
CID: 18412246
Formula: C15H17NO4
MW: 275.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.30
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass275.11575802
Monoisotopic Mass275.11575802
Topological Polar Surface Area66.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity405
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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