2D structurePubChem CID 447212
Identität
Asparaginamide
Nicht angegeben · C4H9N3O2
01Identität
| Lazychem ID | LC-107440 |
|---|---|
| CAS RN | Nicht angegeben |
| PubChem CID | 447212 |
| Molecular formula | C4H9N3O2 |
| Molecular weight | 131.13 g/mol |
| IUPAC name | (2S)-2-aminobutanediamide |
| InChIKey | DSLBDPPHINVUID-REOHCLBHSA-N |
02Struktur und Stereochemie
2D structurePubChem CID 447212
The parsed structure is acyclic, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 0 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C([C@@H](C(=O)N)N)C(=O)N |
|---|---|
| InChI | Nicht angegeben |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Status in Indien
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Namen und Beziehungen
API und Ausgangsarzneistoff
Nicht angegeben
Namen und Beziehungen
06Quellen
- S01PubChem CID 447212
Structure and machine-readable chemical identifiers.