2-((tert-Butoxycarbonyl)amino)spiro[3.3]heptane-2-carboxylic Acid - CAS 1823863-92-8
Catalog: |
BB057697 |
Product Name: |
2-((tert-Butoxycarbonyl)amino)spiro[3.3]heptane-2-carboxylic Acid |
CAS: |
1823863-92-8 |
Synonyms: |
2-[[(1,1-Dimethylethoxy)carbonyl]amino]spiro[3.3]heptane-2-carboxylic Acid |
IUPAC Name: | 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-2-carboxylic acid |
Description: | 2-((tert-Butoxycarbonyl)amino)spiro[3.3]heptane-2-carboxylic acid (cas# 1823863-92-8) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 255.31 |
Molecular Formula: | C13H21NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1(CC2(C1)CCC2)C(=O)O |
InChI: | InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-13(9(15)16)7-12(8-13)5-4-6-12/h4-8H2,1-3H3,(H,14,17)(H,15,16) |
InChI Key: | ZKKOIGGBKLNBKZ-UHFFFAOYSA-N |
References: | Blayo, A., et al. From PCT Int. Appl. (2021), WO 2021064189 A2 20210408; Gomez, R., et al. From PCT Int. Appl. (2017), WO 2017222914 A1 20171228. |
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021064189-A2 | Prostaglandin e2 (pge2) ep4 receptor antagonists | 20191002 |
EP-3472151-A1 | Carbocyclic prolinamide derivatives | 20160621 |
JP-2019518800-A | Carbocyclic prolinamide derivatives | 20160621 |
US-10526315-B2 | Carbocyclic prolinamide derivatives | 20160621 |
US-2019202810-A1 | Carbocyclic prolinamide derivatives | 20160621 |
WO-2017222914-A1 | Carbocyclic prolinamide derivatives | 20160621 |
US-2020385362-A1 | Carbocyclic prolinamide derivatives | 20160621 |
US-11267803-B2 | Carbocyclic prolinamide derivatives | 20160621 |
US-2021347762-A1 | Carbocyclic prolinamide derivatives | 20160621 |
AU-2005202180-A1 | New pyrrolidine and thiazolidine compounds, a process for their preparation and pharmaceutical compositions containing them | 20040519 |
Complexity: | 371 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.14705815 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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