2D structurePubChem CID 14593264
Chemical identity
2-ethoxycarbonylpentanoic acid
CAS 2985-35-5 · C8H14O4
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-30512 |
|---|---|
| PubChem CID | 14593264 |
| Name | 2-ethoxycarbonylpentanoic acid |
| CAS RN | 2985-35-5 |
| Molecular formula | C8H14O4 |
| Molecular weight | 174.19 g/mol |
| IUPAC name | 2-Propyl-malonic acid monoethyl ester |
| InChIKey | ZYXZSRASZWYYFY-UHFFFAOYSA-N |
02Structure identifiers
2D structurePubChem CID 14593264
Structure facts for this exact identity.
| Molecular formula | C8H14O4 |
|---|---|
| InChIKey | ZYXZSRASZWYYFY-UHFFFAOYSA-N |
| Ring count | 0 |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 1 |
| SMILES | CCCC(C(=O)O)C(=O)OCC |
|---|---|
| InChI | InChI=1S/C8H14O4/c1-3-5-6(7(9)10)8(11)12-4-2/h6H,3-5H2,1-2H3,(H,9,10) |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.
Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese 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 / RCS | NOT FOUND IN REVIEWED ENTRIES | CAS 2985-35-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | CAS 2985-35-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · source version 1985-09-16
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · source version 2026-03-11
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · source version 2024-09-02
05Names and relationships
Associated parent compound
Valproic Acid
View API and impurity familyOther names
- Valproic Acid Impurity 15
- Propanedioic acid, 2-propyl-, 1-ethyl ester
- DB-163409
- 2-(Ethoxycarbonyl)pentanoic acid(Discontinued,See C4X-116646)
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
- S01PubChem compound record, CID 14593264
Names and machine-readable chemical identity properties.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
- S03Narcotic Drugs and Psychotropic Substances Act, 1985, Schedule
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S04Controlled-substances notifications and amendments
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S05Appendix 3, SCOMET List
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.