5-Boc-5-azaspiro[2.5]octane-1-carboxylic Acid - CAS 1363382-36-8
Catalog: |
BB008346 |
Product Name: |
5-Boc-5-azaspiro[2.5]octane-1-carboxylic Acid |
CAS: |
1363382-36-8 |
Synonyms: |
5-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-azaspiro[2.5]octane-2-carboxylic acid; 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.5]octane-2-carboxylic acid |
IUPAC Name: | 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.5]octane-2-carboxylic acid |
Description: | 5-Boc-5-azaspiro[2.5]octane-1-carboxylic Acid (CAS# 1363382-36-8) is a useful research chemical. |
Molecular Weight: | 255.31 |
Molecular Formula: | C13H21NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC2(C1)CC2C(=O)O |
InChI: | InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-5-13(8-14)7-9(13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16) |
InChI Key: | JKPWYFGEQHQKIK-UHFFFAOYSA-N |
LogP: | 2.04610 |
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 |
AU-2016215432-A1 | 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors | 20150202 |
EP-3253747-A1 | 3-alkyl-4-amido-bicyclic [4,5,0]hydroxamic acids as hdac inhibitors | 20150202 |
EP-3253747-B1 | 3-alkyl-4-amido-bicyclic [4,5,0]hydroxamic acids as hdac inhibitors | 20150202 |
JP-2018503674-A | 3-Alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors | 20150202 |
JP-6668362-B2 | 3-Alkyl-4-amide-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors | 20150202 |
Complexity: | 374 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.14705815 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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