| CAS Number | 2103401-56-3 |
| Catalog Number | AG01E7BJ |
| Chemical Name | Trans-4-m-tolylpyrrolidine-3-carboxylic acid |
| IUPAC Name | (3R,4S)-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C12H15NO2/c1-8-3-2-4-9(5-8)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11+/m1/s1 |
| InChI Key | UDNDGSKOCKZZPN-MNOVXSKESA-N |
| MDL Number | MFCD12547450 |
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.253 |
| SMILES | CC1=CC([C@H]2[C@H](C(O)=O)CNC2)=CC=C1 |
| Synonyms | Trans-4-m-tolylpyrrolidine-3-carboxylic acid,
trans-4-(m-Tolyl)pyrrolidine-3-carboxylic acid,
SCHEMBL1817806,
CTK7I3611,
2103401-56-3,
ZINC54965248,
AKOS015842481,
AKOS015898268,
FT-0084121,
(3R,4S)-4-M-TOLYLPYRROLIDINE-3-CARBOXYLIC ACID,
AJ-112526,
I11-0211,
1049976-06-8,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.110279g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.25g/mol |
| Monoisotopic Mass | 205.110279g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number