trans-Methylcyclopropanecarboxylic Acid - CAS 6202-94-4
Catalog: |
BB059882 |
Product Name: |
trans-Methylcyclopropanecarboxylic Acid |
CAS: |
6202-94-4 |
Synonyms: |
(1R,2R)-rel-2-Methylcyclopropanecarboxylic Acid |
IUPAC Name: | (1R,2R)-2-methylcyclopropane-1-carboxylic acid |
Description: | trans-Methylcyclopropanecarboxylic Acid is a reactant that has been used in the synthesis of isonicotinamide derivatives as β-secretase inhibitors and in vivo reduction of β-amyloid. |
Molecular Weight: | 100.12 |
Molecular Formula: | C5H8O2 |
Canonical SMILES: | CC1CC1C(=O)O |
InChI: | InChI=1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)/t3-,4-/m1/s1 |
InChI Key: | AYEGPMGNMOIHDL-QWWZWVQMSA-N |
References: | Stanton, M.G., et. al. J. Med. Chem., 50, 3431 (2007). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019119207-A1 | Purine inhibitors of human phosphatidylinositol 3-kinase delta | 20171218 |
WO-2019125839-A1 | Purine inhibitors of human phosphatidylinositol 3-kinase delta | 20171218 |
EP-3727378-A1 | Purine inhibitors of human phosphatidylinositol 3-kinase delta | 20171218 |
US-2020390760-A1 | Purine inhibitors of human phosphatidylinositol 3-kinase delta | 20171218 |
US-11179389-B2 | Purine inhibitors of human phosphatidylinositol 3-kinase delta | 20171218 |
CA-3071024-A1 | Compounds, compositions and methods | 20170809 |
CN-111094233-A | Compounds, compositions and methods | 20170809 |
EP-3665156-A1 | Compounds, compositions and methods | 20170809 |
KR-20200037830-A | Compounds, compositions and methods | 20170809 |
TW-201920115-A | Compounds, compositions and methods | 20170809 |
Complexity: | 98.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 100.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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