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
2D structure: (1R,4S)-methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate, CAS 251326-99-5
Structure of (1R,4S)-methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate (CAS 251326-99-5). LazyChem record. Source identity: PubChem CID 10610130. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC12H19NO4
InChIKeyHKLDTKMTZPXEAZ-DTWKUNHWSA-N
Ring count1
Defined stereocentres2
Unassigned stereocentres0
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H](C=C1)C(=O)OC
InChIInChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h5-6,8-9H,7H2,1-4H3,(H,13,15)/t8-,9+/m0/s1

03Stereochemistry

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

Defined stereocentres22D structure
Unassigned stereocentres02D structure
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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 251326-99-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 251326-99-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Peramivir

View API and impurity family

Other names

  • Peramivir Impurity 15
  • methyl (1R,4S)-4-(tert-butoxycarbonylamino)cyclopent-2-ene-1-carboxylate
  • (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