Identità

Acetylphenylalanine methyl ester

Non indicato · C12H15NO3

01Identità

Lazychem ID	LC-102731
CAS RN	Non indicato
PubChem CID	704002
Molecular formula	C12H15NO3
Molecular weight	221.25 g/mol
IUPAC name	methyl (2S)-2-acetamido-3-phenylpropanoate
InChIKey	IKGHIFGXPVLPFD-NSHDSACASA-N

02Struttura e stereochimica

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

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

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

SMILES	CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC
InChI	Non indicato

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

2 records

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.