Tapatybė

Dihydrokainic acid

Nenurodyta · C10H17NO4

01Tapatybė

Lazychem ID	LC-116337
CAS RN	Nenurodyta
PubChem CID	107883
Molecular formula	C10H17NO4
Molecular weight	215.25 g/mol
IUPAC name	(2S,3S,4R)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid
InChIKey	JQPDCKOQOOQUSC-OOZYFLPDSA-N

02Struktūra ir stereochemija

Two-dimensional chemical structure of Dihydrokainic acid — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	1
Secondary amines	1
Tertiary amines	0

SMILES	CC(C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
InChI	Nenurodyta

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.