| Canonical Smiles | C=C(CC(C(=O)O)N)Br |
|---|---|
| IUPAC Name | (2R)-2-amino-4-bromopent-4-enoic acid |
| InChIKey | YTCSGBSYHNQHFD-SCSAIBSYSA-N |
| INCHI | 1S/C5H8BrNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m1/s1 |
| Isomeric SMILES | C=C(C[C@H](C(=O)O)N)Br |
| Molecular Weight | 194 |
| Reaxy-Rn | 1929571 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1929571&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids |
| Direct Parent | D-alpha-amino acids |
| Alternative Parents | Halogenated fatty acids Unsaturated fatty acids Quaternary ammonium salts Carboxylic acid salts Vinyl bromides Monocarboxylic acids and derivatives Carboxylic acids Bromoalkenes Organobromides Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | D-alpha-amino acid - Halogenated fatty acid - Unsaturated fatty acid - Fatty acyl - Fatty acid - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Vinyl bromide - Vinyl halide - Haloalkene - Bromoalkene - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 194.030 g/mol |
|---|---|
| XLogP3 | -1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 192.974 Da |
| Monoisotopic Mass | 192.974 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 135.000 |
| 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 |
