| Canonical Smiles | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CN)C(=O)O.Cl |
|---|---|
| IUPAC Name | (2R)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride |
| InChIKey | GJIUYXQXIOYBMD-PKLMIRHRSA-N |
| INCHI | 1S/C18H18N2O4.ClH/c19-9-16(17(21)22)20-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;/h1-8,15-16H,9-10,19H2,(H,20,23)(H,21,22);1H/t16-;/m1./s1 |
| Isomeric SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CN)C(=O)O.Cl |
| PubChem CID | 49853426 |
| Molecular Weight | 362.8 |
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 | Benzenoids |
| Class | Fluorenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorenes |
| Alternative Parents | Alpha amino acids and derivatives Carbamate esters Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Fluorene - Alpha-amino acid or derivatives - Carbamic acid ester - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
| External Descriptors | Not available |
| Molecular Weight | 362.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 362.103 Da |
| Monoisotopic Mass | 362.103 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 448.000 |
| 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 | 2 |
