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Compound FL0158

CAT: 0931-FL0158-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0158-02Size:5 mg
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CAS Number
1171124-68-7
Bioactivity
Compound FL0158, with CAS No. 1171124-68-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0158 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
CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N
Molecular Formula
C11H22N2O3
Molecular Weight
230.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CAS Number1171124-68-7
PubChem CID25417269
IUPAC Nametert-butyl (3S,4R)-4-amino-3-methoxypiperidine-1-carboxylate
Molecular FormulaC11H22N2O3
Molecular Weight230.30
XLogP0.3
Topological Polar Surface Area64.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity250
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)OC)N
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-8(12)9(7-13)15-4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1
InChIKey
QNGHCFVWYKWWMU-BDAKNGLRSA-N
Chemical Structure
2D Structure
2D structure of (3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CAS: 1171124-68-7
CID: 25417269
Formula: C11H22N2O3
MW: 230.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.30
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass230.16304257
Monoisotopic Mass230.16304257
Topological Polar Surface Area64.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity250
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
FL0185-01Compound FL0185
FL0156-01Compound FL0156
FL0148-01Compound FL0148
FL0154-01Compound FL0154
FL0108-01Compound FL0108
FL0159-01Compound FL0159
FL0153-01Compound FL0153
FL0151-01Compound FL0151
FL0155-01Compound FL0155
FL0152-01Compound FL0152

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