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Compound FL0183

CAT: 0931-FL0183-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0183-02Size:10 mg
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CAS Number
183741-86-8
Bioactivity
Compound FL0183, with CAS No. 183741-86-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0183 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
COc1cc(C(O)=O)c(NC(=O)OC(C)(C)C)cn1
Molecular Formula
C12H16N2O5
Molecular Weight
268.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-{[(Tert-butoxy)carbonyl]amino}-2-methoxypyridine-4-carboxylic acid
CAS Number183741-86-8
PubChem CID2763104
IUPAC Name2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
Molecular FormulaC12H16N2O5
Molecular Weight268.27
XLogP1.8
Topological Polar Surface Area97.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity340
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1C(=O)O)OC
InChI
InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-8-6-13-9(18-4)5-7(8)10(15)16/h5-6H,1-4H3,(H,14,17)(H,15,16)
InChIKey
YSPBACAUWGFVRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-{[(Tert-butoxy)carbonyl]amino}-2-methoxypyridine-4-carboxylic acid
CAS: 183741-86-8
CID: 2763104
Formula: C12H16N2O5
MW: 268.27
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight268.27
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass268.10592162
Monoisotopic Mass268.10592162
Topological Polar Surface Area97.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity340
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
FL0185-01Compound FL0185
FL0113-01Compound FL0113
FL0184-01Compound FL0184
FL0153-01Compound FL0153
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FL0158-01Compound FL0158
FL0121-01Compound FL0121
FL0115-01Compound FL0115
FL0280-01Compound FL0280
FL0156-01Compound FL0156

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