| CAS Number | 233600-20-9 |
| Catalog Number | AG00BI0M(AGN-PC-0WB2VB) |
| Chemical Name | rel-(1R,2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-cyclohexene-1-carboxylic acid |
| IUPAC Name | (1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid |
| InChI | InChI=1S/C22H21NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,6-10,12,18-20H,5,11,13H2,(H,23,26)(H,24,25)/t18-,20+/m1/s1 |
| InChI Key | OTYJADWWVDSUOQ-QUCCMNQESA-N |
| MDL Number | MFCD09881423 |
| Molecular Formula | C22H21NO4 |
| Molecular Weight | 363.4064 |
| SMILES | OC([C@H]1[C@@H](NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C=CCC1)=O |
| Synonyms | cis-2-(9-Fluorenylmethoxycarbonylamino)cyclohex-3-enecarboxylic acid,
233600-20-9,
7912AD,
MFCD09881423,
ZINC32099079,
AKOS027382877,
OR307664,
T6459,
(1R,2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclohex-3-ene-1-carboxylic acid,
C22H21NO4,
CIS-2- CYCLOHEX-3-ENECARBOXYLICACID,
(1R,2S)-Fmoc-2-aminocyclohex-3-ene-carboxylic acid,
|
| Complexity | 567 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.413g/mol |
| Monoisotopic Mass | 363.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number