(S)-4-N-Boc-piperazine-2-carboxylic acid - CAS 848482-93-9
Catalog: |
BB037337 |
Product Name: |
(S)-4-N-Boc-piperazine-2-carboxylic acid |
CAS: |
848482-93-9 |
Synonyms: |
(2S)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid; (2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid |
IUPAC Name: | (2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid |
Description: | (S)-4-N-Boc-piperazine-2-carboxylic acid (CAS# 848482-93-9) is a useful research chemical compound. |
Molecular Weight: | 230.26 |
Molecular Formula: | C10H18N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNC(C1)C(=O)O |
InChI: | InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1 |
InChI Key: | YRYAXQJXMBETAT-ZETCQYMHSA-N |
Boiling Point: | 371.8 °C at 760 mmHg |
Melting Point: | 231-239 °C |
Purity: | 95 % |
Density: | 1.193 g/cm3 |
Appearance: | White to yellow solid |
MDL: | MFCD02179098 |
LogP: | 0.54660 |
GHS Hazard Statement: | H317 (95%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021047406-A1 | Tricyclic compound, pharmaceutical composition containing same, preparation method therefor and use thereof | 20190910 |
EP-3760620-A1 | Receptor antagonist, pharmaceutical composition comprising same, and usage thereof | 20180223 |
CN-109803963-A | The heterocycle that cyano with USP30 inhibitor activity replaces | 20161005 |
EP-3523291-A1 | Cyano-substituted heterocycles with activity as inhibitors of usp30 | 20161005 |
JP-2019533659-A | Cyano-substituted heterocycles having activity as inhibitors of USP30 | 20161005 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.12665706 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.12665706 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.2 |
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