tert-Butyl 7-Oxo-2,6-diazaspiro[3.4]octane-2-carboxylate - CAS 1234616-51-3
Catalog: |
BB005694 |
Product Name: |
tert-Butyl 7-Oxo-2,6-diazaspiro[3.4]octane-2-carboxylate |
CAS: |
1234616-51-3 |
Synonyms: |
6-oxo-2,7-diazaspiro[3.4]octane-2-carboxylic acid tert-butyl ester; tert-butyl 6-oxo-2,7-diazaspiro[3.4]octane-2-carboxylate |
IUPAC Name: | tert-butyl 6-oxo-2,7-diazaspiro[3.4]octane-2-carboxylate |
Description: | tert-Butyl 7-Oxo-2,6-diazaspiro[3.4]octane-2-carboxylate (CAS# 1234616-51-3) is a useful research chemical. |
Molecular Weight: | 226.27 |
Molecular Formula: | C11H18N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2 |
InChI: | InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-8(14)12-5-11/h4-7H2,1-3H3,(H,12,14) |
InChI Key: | IRALTYPUIGPWFA-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD18325190 |
LogP: | 1.01010 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2018011160-A1 | 6,7-dihydro-4h-pyrazolo[1,5-a]pyrazine compounds for the treatment of infectious diseases | 20160714 |
EP-3481828-A1 | Spiro-fused cyclic ureas as inhibitors of rock | 20160707 |
JP-2019520396-A | Spiro fused ring ureas as ROCK inhibitors | 20160707 |
KR-20190025683-A | Spiro-fused cyclic ureas as inhibitors of ROCK | 20160707 |
US-2019300528-A1 | Spiro-fused cyclic ureas as inhibitors of rock | 20160707 |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.13174244 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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