(1R,5S,6r)-rel-3-Boc-3-azabicyclo[3.1.0]hexane-6-carboxylic Acid - CAS 927679-54-7
Catalog: |
BB040611 |
Product Name: |
(1R,5S,6r)-rel-3-Boc-3-azabicyclo[3.1.0]hexane-6-carboxylic Acid |
CAS: |
927679-54-7 |
Synonyms: |
(1R,5S)-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid; (1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid |
IUPAC Name: | (1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid |
Description: | (1R,5S,6r)-rel-3-Boc-3-azabicyclo[3.1.0]hexane-6-carboxylic Acid (CAS# 927679-54-7) is a useful research chemical. |
Molecular Weight: | 227.26 |
Molecular Formula: | C11H17NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)O |
InChI: | InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7+,8? |
InChI Key: | GYEQQDCMLKKYGG-DHBOJHSNSA-N |
Boiling Point: | 355.9 °C at 760 mmHg |
Density: | 1.276 g/cm3 |
MDL: | MFCD12198680 |
LogP: | 1.12180 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021071806-A1 | Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
US-2020290998-A1 | Novel imidazole-pyrazole derivatives | 20190308 |
WO-2019215341-A1 | Furin inhibitors | 20180511 |
EP-3790871-A1 | Furin inhibitors | 20180511 |
US-2020172532-A1 | Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections | 20170627 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.11575802 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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