Chemical identity

3-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid

CAS not listed · C12H23NO4

01Identity

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

Lazychem IDLC-87080
PubChem CID4393167
Name3-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid
CAS RNNot listed
Molecular formulaC12H23NO4
Molecular weight245.32 g/mol
IUPAC name5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChIKeyXRVAMBSTOWHUMM-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 4393167
Two-dimensional chemical structure of 3-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count0
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)CC(CC(=O)O)NC(=O)OC(C)(C)C
InChINot listed
Formula from structureC12H23NO4
Molecular weight from structure245.32 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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 FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

No synonyms are listed.

Related records from the same parent family

No related records are linked by parent name.

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