| CAS Number | 486415-32-1 |
| Catalog Number | AG00I8SN(AGN-PC-0S0C2Z) |
| Chemical Name | rac-(1R,3R,4S)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid |
| IUPAC Name | (1S,3S,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid |
| InChI | InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-8-5-4-7(6-8)9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+,9+/m1/s1 |
| InChI Key | IFAMSTPTNRJBRG-VGMNWLOBSA-N |
| MDL Number | MFCD22209377 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | C(C)(C)(C)OC(=O)N1[C@H]2CC[C@@H]([C@H]1C(=O)O)C2 |
| Synonyms | SCHEMBL4663434,
(1S,3R,4S)-2-(TERT-BUTOXYCARBONYL)-2-AZABICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID,
IFAMSTPTNRJBRG-VGMNWLOBSA-N,
Rel-(1s,3s,4r)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid,
291775-53-6,
486415-32-1,
ZINC43642229,
AKOS032963144,
(1 S,3S,4R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid,
(1S,3S,4R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.287g/mol |
| Monoisotopic Mass | 241.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number