≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)OC(=O)N1CCCC1(CC2=CC(=C(C=C2)F)F)C(=O)O |
|---|---|
| IUPAC Name | (2S)-2-[(3,4-difluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| InChIKey | UOBIEKXTHCSFGK-KRWDZBQOSA-N |
| INCHI | 1S/C17H21F2NO4/c1-16(2,3)24-15(23)20-8-4-7-17(20,14(21)22)10-11-5-6-12(18)13(19)9-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,22)/t17-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC(=C(C=C2)F)F)C(=O)O |
| PubChem CID | 7145485 |
| Molecular Weight | 341.36 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Amphetamines and derivatives Alpha amino acids and derivatives Pyrrolidine carboxylic acids Fluorobenzenes Aryl fluorides Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Pyrrolidine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
| Molecular Weight | 341.350 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 341.144 Da |
| Monoisotopic Mass | 341.144 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 493.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
