| CAS Number | 1909301-33-2 |
| Catalog Number | AG01C2VG |
| Chemical Name | rac-(2r,3r)-3-{[(benzyloxy)carbonyl]amino}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| IUPAC Name | (2S,3S)-3-(phenylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| InChI | InChI=1S/C16H17NO4/c18-15(19)13-11-6-7-12(8-11)14(13)17-16(20)21-9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2,(H,17,20)(H,18,19)/t11?,12?,13-,14-/m0/s1 |
| InChI Key | DGRPAZJZBQTEPY-HOAMVYINSA-N |
| MDL Number | MFCD29055150 |
| Molecular Formula | C16H17NO4 |
| Molecular Weight | 287.3105 |
| SMILES | O=C(N[C@H]1C2C=CC([C@@H]1C(=O)O)C2)OCc1ccccc1 |
| Synonyms | (2R,3R)-3-{[(benzyloxy)carbonyl]amino}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid,
AKOS034811099,
1909301-33-2,
rac-(2R,3R)-3-{[(benzyloxy)carbonyl]amino}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, trans,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.315g/mol |
| Monoisotopic Mass | 287.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number