Chemical identity

(2S, 4R)-Dimethyl 2-((tert-butoxycarbonyl)amino)-4-(cyanomethyl)pentanedioate

CAS 328086-57-3 · C14H22N2O6

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-16281
PubChem CID11472488
Name(2S, 4R)-Dimethyl 2-((tert-butoxycarbonyl)amino)-4-(cyanomethyl)pentanedioate
CAS RN328086-57-3
Molecular formulaC14H22N2O6
Molecular weight314.3 g/mol
IUPAC nameDimethyl (2S,4R)-2-((tert-butoxycarbonyl)amino)-4-(cyanomethyl)pentanedioate
InChIKeyQVTOOWHELURIDU-UWVGGRQHSA-N

02Structure identifiers

2D structurePubChem CID 11472488
Two-dimensional chemical structure of (2S, 4R)-Dimethyl 2-((tert-butoxycarbonyl)amino)-4-(cyanomethyl)pentanedioate, CAS 328086-57-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count0
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)(C)OC(=O)N[C@@H](C[C@H](CC#N)C(=O)OC)C(=O)OC
InChINot listed
Formula from structureC14H22N2O6
Molecular weight from structure314.3 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 328086-57-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 328086-57-3 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Glutamic Acid

View associated product family

Other names

  • Glutamic Acid Impurity 1
  • (2S, 4R)-Dimethyl 2-((tert-butoxycarbonyl)amino)-4-(cyanomethyl)pentanedioate

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources