1-Boc-5-oxo-piperazine-2-carboxylic acid - CAS 1246553-28-5
Catalog: |
BB005964 |
Product Name: |
1-Boc-5-oxo-piperazine-2-carboxylic acid |
CAS: |
1246553-28-5 |
Synonyms: |
1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid |
IUPAC Name: | 1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid |
Description: | 1-Boc-5-oxo-piperazine-2-carboxylic acid (CAS# 1246553-28-5) is sued in preparation of Heterocyclic compounds; used in the treatment of kinetoplastid infection. |
Molecular Weight: | 244.24 |
Molecular Formula: | C10H16N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)O |
InChI: | InChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-5-7(13)11-4-6(12)8(14)15/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15) |
InChI Key: | PYQDNNRESXVUND-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 0.02030 |
GHS Hazard Statement: | H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
US-2020095232-A1 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
US-10815222-B2 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
EP-3558980-B1 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
CN-104046246-A | Chemical Mechanical Planarization for Tungsten-Containing Substrates | 20130312 |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.10592162 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.10592162 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95.9 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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