tert-Butyl Azetidine-3-acetate - CAS 1339121-58-2
Catalog: |
BB007836 |
Product Name: |
tert-Butyl Azetidine-3-acetate |
CAS: |
1339121-58-2 |
Synonyms: |
2-(3-azetidinyl)acetic acid tert-butyl ester; tert-butyl 2-(azetidin-3-yl)acetate |
IUPAC Name: | tert-butyl 2-(azetidin-3-yl)acetate |
Description: | tert-Butyl Azetidine-3-acetate (CAS# 1339121-58-2 ) is a useful research chemical. |
Molecular Weight: | 171.24 |
Molecular Formula: | C9H17NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)CC1CNC1 |
InChI: | InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)4-7-5-10-6-7/h7,10H,4-6H2,1-3H3 |
InChI Key: | PBYYFMDWHCPWQG-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CN-111629728-A | Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor | 20170831 |
EP-3018126-A1 | Heterocyclic compound | 20130703 |
JP-6427491-B2 | Heterocyclic compounds | 20130703 |
JP-WO2015002231-A1 | Heterocyclic compounds | 20130703 |
US-10053468-B2 | Heterocyclic compound | 20130703 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.125928785 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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