1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylic Acid - CAS 70684-84-3
Catalog: |
BB034214 |
Product Name: |
1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylic Acid |
CAS: |
70684-84-3 |
Synonyms: |
1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid |
Ordering Information
Catalog |
Size |
Price |
Stock |
BB034214 |
5 g |
$599 |
In stock |
IUPAC Name: | 1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid |
Molecular Weight: | 227.26 |
Molecular Formula: | C11H17NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=CC1)C(=O)O |
InChI: | InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h4H,5-7H2,1-3H3,(H,13,14) |
InChI Key: | XMOGRJIQFWJZDG-UHFFFAOYSA-N |
MDL: | MFCD02682417 |
LogP: | 1.57610 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111217693-A | method for preparing a, β -unsaturated carboxylic acid by reacting alkenyl boron compound catalyzed by cuprous halide with carbon dioxide | 20200219 |
CN-109476664-A | New compound as autotaxin inhibitors and the pharmaceutical composition comprising it | 20170517 |
EP-3442973-A1 | Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | 20170517 |
JP-2019518799-A | Novel compounds as autotaxin inhibitors and pharmaceutical compositions containing them | 20170517 |
US-2020172542-A1 | Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | 20170517 |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.11575802 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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