≥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=CC=C2[N+](=O)[O-])C(=O)O |
|---|---|
| IUPAC Name | (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid |
| InChIKey | ZXZASBNTHVRNBK-KRWDZBQOSA-N |
| INCHI | 1S/C17H22N2O6/c1-16(2,3)25-15(22)18-10-6-9-17(18,14(20)21)11-12-7-4-5-8-13(12)19(23)24/h4-5,7-8H,6,9-11H2,1-3H3,(H,20,21)/t17-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=CC=C2[N+](=O)[O-])C(=O)O |
| PubChem CID | 7145431 |
| Molecular Weight | 350.36 |
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 | Alpha amino acids and derivatives Amphetamines and derivatives Nitrobenzenes Pyrrolidine carboxylic acids Nitroaromatic compounds Carbamate esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Nitrobenzene - Nitroaromatic compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Carbamic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic cation - 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 | 350.400 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 350.148 Da |
| Monoisotopic Mass | 350.148 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 538.000 |
| 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 |
