≥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)N1CCC[C@@]1(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
|---|---|
| IUPAC Name | (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid |
| InChIKey | ZLAHSBNFIOYNRP-QGZVFWFLSA-N |
| INCHI | 1S/C17H22N2O6/c1-16(2,3)25-15(22)18-10-4-9-17(18,14(20)21)11-12-5-7-13(8-6-12)19(23)24/h5-8H,4,9-11H2,1-3H3,(H,20,21)/t17-/m1/s1 |
| Molecular Weight | 350.400 |
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 Tertiary amines Amino acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives 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 - Amino acid or derivatives - Amino acid - C-nitro compound - Organic nitro compound - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Organic nitrogen compound - Amine - 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 | 530.000 |
| 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 |
