(S)-4-Boc-6-oxopiperazine-2-carboxylic Acid - CAS 1240586-09-7
Catalog: |
BB005798 |
Product Name: |
(S)-4-Boc-6-oxopiperazine-2-carboxylic Acid |
CAS: |
1240586-09-7 |
Synonyms: |
(2S)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-6-oxo-2-piperazinecarboxylic acid; (2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxopiperazine-2-carboxylic acid |
IUPAC Name: | (2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxopiperazine-2-carboxylic acid |
Description: | (S)-4-Boc-6-oxopiperazine-2-carboxylic Acid (CAS# 1240586-09-7 ) is a useful research chemical. |
Molecular Weight: | 244.24 |
Molecular Formula: | C10H16N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(NC(=O)C1)C(=O)O |
InChI: | InChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-4-6(8(14)15)11-7(13)5-12/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15)/t6-/m0/s1 |
InChI Key: | OLXJXLAQYMROED-LURJTMIESA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 0.02030 |
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 |
EP-3024824-A1 | Therapeutically active compounds and use thereof | 20130725 |
JP-2016525130-A | Therapeutically active compounds and uses thereof | 20130725 |
JP-2019104734-A | Therapeutically active compounds and their use | 20130725 |
JP-6640390-B2 | Therapeutically active compounds and uses thereof | 20130725 |
US-10689414-B2 | Therapeutically active compounds and their methods of use | 20130725 |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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