| CAS Number | 1931961-71-5 |
| Catalog Number | AG00PQHU(AGN-PC-3H4596) |
| Chemical Name | (1S,5S)-3-[(tert-Butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid |
| IUPAC Name | (1S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid |
| InChI | InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-7-4-11(7,6-12)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)/t7-,11-/m1/s1 |
| InChI Key | OUTDFRNFTVGFRQ-RDDDGLTNSA-N |
| MDL Number | MFCD18633027 |
| Molecular Formula | C11H17NO4 |
| Molecular Weight | 227.2570 |
| SMILES | O=C([C@]12CN(C(OC(C)(C)C)=O)C[C@@]1([H])C2)O |
| Synonyms | (1S,5S)-3-(TERT-BUTOXYCARBONYL)-3-AZABICYCLO[3.1.0]HEXANE-1-CARBOXYLIC ACID,
1931961-71-5,
1251005-34-1,
ZINC91304807,
AM805790,
CS-0080015,
3-aza-bicyclo[3.1.0]hexane-1,3-dicarboxylicacid3-tert-butylester,
(1S,5S)-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid,
cis-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid,
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| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.26g/mol |
| Monoisotopic Mass | 227.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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