Chemical identity

(1R,4S)-methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate

CAS 251326-99-5 · C12H19NO4

01Identity

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

Lazychem IDLC-24919
PubChem CID10610130
Name(1R,4S)-methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate
CAS RN251326-99-5
Molecular formulaC12H19NO4
Molecular weight241.29 g/mol
IUPAC namemethyl (1R,4S)-4-((tert-butoxycarbonyl)amino)cyclopent-2-ene-1-carboxylate
InChIKeyHKLDTKMTZPXEAZ-DTWKUNHWSA-N

02Structure identifiers

2D structurePubChem CID 10610130
Two-dimensional chemical structure of (1R,4S)-methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate, CAS 251326-99-5
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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](C=C1)C(=O)OC
InChINot listed
Formula from structureC12H19NO4
Molecular weight from structure241.29 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

3 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.

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 251326-99-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 251326-99-5 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

Peramivir

View API and impurity family

Other names

  • Peramivir Impurity 15
  • (1R,4S)-methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate
  • 251326-99-5
  • methyl (1R,4S)-4-(tert-butoxycarbonylamino)cyclopent-2-ene-1-carboxylate
  • 229613-91-6
  • MFCD02259717
  • (1R-4S)-4-[[(1,1-dimethylethoxy)carbonyl]amino]- 2-Cyclopentene-1-carboxylic acid methyl ester
  • Methyl (1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
  • rac-methyl (1R,4S)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-2-ene-1-carboxylate
  • rel-(1R,4S)-Methyl 4-((tert-butoxycarbonyl)amino)cyclopent-2-enecarboxylate
  • cis-4-Boc-amino-2-cyclopentene-1-carboxylic acid methyl ester
  • Methyl (1R,4S)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-cyclopentene-1-carboxylic Acid Ester

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