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Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ISOPROPYLPENTANOIC ACID

SMILES

CCCC(C(C)C)C(O)=O

InChI

InChIKey=ODPKTGAWWHZBOY-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-4-5-7(6(2)3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C8H16O2
Molecular Weight 144.2114
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Valproic acid, but not its non-teratogenic analogue 2-isopropylpentanoic acid, affects proliferation, viability and neuronal differentiation of the human teratocarcinoma cell line NTera-2.
1998 Jun
Histone deacetylases inhibition and tumor cells cytotoxicity by CNS-active VPA constitutional isomers and derivatives.
2005 May 15
The effects of central nervous system-active valproic acid constitutional isomers, cyclopropyl analogs, and amide derivatives on neuronal growth cone behavior.
2007 Mar
Evaluation of the effects of propylisopropylacetic acid (PIA) on neuronal growth cone morphology.
2009 Mar
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:58:45 GMT 2023
Edited
by admin
on Sat Dec 16 09:58:45 GMT 2023
Record UNII
2B1J2157CO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ISOPROPYLPENTANOIC ACID
Systematic Name English
VALPROIC ACID RELATED COMPOUND B [USP-RS]
Common Name English
2-ISOPROPYLVALERIC ACID
Systematic Name English
PENTANOIC ACID, 2-(1-METHYLETHYL)-
Common Name English
VALPROIC ACID RELATED COMPOUND B [USP IMPURITY]
Common Name English
VALPROIC ACID IMPURITY C [EP IMPURITY]
Common Name English
2-ISOPROPYL PENTANOIC ACID
Systematic Name English
VALPROIC ACID RELATED COMPOUND B
USP   USP-RS  
Common Name English
Code System Code Type Description
PUBCHEM
147513
Created by admin on Sat Dec 16 09:58:45 GMT 2023 , Edited by admin on Sat Dec 16 09:58:45 GMT 2023
PRIMARY
RS_ITEM_NUM
1708718
Created by admin on Sat Dec 16 09:58:45 GMT 2023 , Edited by admin on Sat Dec 16 09:58:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID70881262
Created by admin on Sat Dec 16 09:58:45 GMT 2023 , Edited by admin on Sat Dec 16 09:58:45 GMT 2023
PRIMARY
CAS
62391-99-5
Created by admin on Sat Dec 16 09:58:45 GMT 2023 , Edited by admin on Sat Dec 16 09:58:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
263-529-8
Created by admin on Sat Dec 16 09:58:45 GMT 2023 , Edited by admin on Sat Dec 16 09:58:45 GMT 2023
PRIMARY
FDA UNII
2B1J2157CO
Created by admin on Sat Dec 16 09:58:45 GMT 2023 , Edited by admin on Sat Dec 16 09:58:45 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (GC)
EP