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Compound FL0067

CAT: 0013-GTR19269696-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269696-04Size:25 mg
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Description
Compound FL0067, with CAS No. 1401464-07-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0067 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
1401464-07-0
Purity
99.91% (May vary between batches)
Smiles
[H][C@@]12CN (C[C@]1 ([H]) [C@@H]2C (O) =O) C (=O) OC (C) (C) C
Molecular Formula
C11H17NO4
Molecular Weight
227.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R,5S,6r)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CAS Number1401464-07-0
PubChem CID39871576
IUPAC Name(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
Molecular FormulaC11H17NO4
Molecular Weight227.26
XLogP0.7
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity321
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2C(=O)O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7+,8?
InChIKey
GYEQQDCMLKKYGG-DHBOJHSNSA-N
Chemical Structure
2D Structure
2D structure of (1R,5S,6r)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CAS: 1401464-07-0
CID: 39871576
Formula: C11H17NO4
MW: 227.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.26
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass227.11575802
Monoisotopic Mass227.11575802
Topological Polar Surface Area66.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity321
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

Related Products

CatalogName
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GTR19269695-01Compound FL0064
GTR19269681-01Compound FL0017
GTR19269731-01Compound FL0167 (SC)
GTR19269730-01Compound FL0164
GTR19269728-01Compound FL0161

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