| CAS Number | 189506-90-9 |
| Catalog Number | AG01BV3Q(AGN-PC-0QJ0LU) |
| Chemical Name | Rac-(3r,4r)-1-benzyl-4-cyclopropylpyrrolidine-3-carboxylic acid, trans |
| IUPAC Name | (3S,4S)-1-benzyl-4-cyclopropylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C15H19NO2/c17-15(18)14-10-16(9-13(14)12-6-7-12)8-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,17,18)/t13-,14+/m0/s1 |
| InChI Key | JBLUXZWVKSRNJN-UONOGXRCSA-N |
| MDL Number | MFCD30345432 |
| Molecular Formula | C15H19NO2 |
| Molecular Weight | 245.3169 |
| SMILES | OC(=O)[C@@H]1CN(C[C@H]1C1CC1)Cc1ccccc1 |
| Synonyms | SCHEMBL8863296,
ZINC37263106,
AJ-93761,
CS-0058148,
(3S,4S)-1-Benzyl-4-cyclopropylpyrrolidine-3-carboxylic acid,
rac-(3R,4R)-1-benzyl-4-cyclopropylpyrrolidine-3-carboxylic acid, trans,
189506-90-9,
CID11021165,
(3R,4S)-1-benzyl-4-cyclopropyl-pyrrolidine-3-carboxylic Acid,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.322g/mol |
| Monoisotopic Mass | 245.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number