(1S,3R,5S)-2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic Acid 2-(1,1-dimethylethyl) Ester - CAS 1417743-41-9
Catalog: |
BB074270 |
Product Name: |
(1S,3R,5S)-2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic Acid 2-(1,1-dimethylethyl) Ester |
CAS: |
1417743-41-9 |
Synonyms: |
(1s,3r,5s)-2-Boc-2-azabicyclo[3.1.0]hexane-3-carboxylic acid; (1S,3R,5S)-2-(tert-butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid; (1S,3R,5S)-2-[(tert-Butoxy)carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid |
IUPAC Name: | (1S,3R,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid |
Description: | (1S,3R,5S)-2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic Acid 2-(1,1-dimethylethyl) Ester is a compound useful in organic synthesis and other chemical processes. |
Molecular Weight: | 227.26 |
Molecular Formula: | C11H17NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2CC2CC1C(=O)O |
InChI: | InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+/m0/s1 |
InChI Key: | VXIIZQXOIDYWBS-BIIVOSGPSA-N |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
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: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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