U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H14O3
Molecular Weight 146.1843
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYL-2-(HYDROXYMETHYL)BUTYRIC ACID

SMILES

CCC(CC)(CO)C(O)=O

InChI

InChIKey=NGNICDYIWUGSEY-UHFFFAOYSA-N
InChI=1S/C7H14O3/c1-3-7(4-2,5-8)6(9)10/h8H,3-5H2,1-2H3,(H,9,10)

HIDE SMILES / InChI

Approval Year

Name Type Language
BUTANOIC ACID, 2-ETHYL-2-(HYDROXYMETHYL)-
Preferred Name English
2-ETHYL-2-(HYDROXYMETHYL)BUTYRIC ACID
Systematic Name English
2-ETHYL-2-(HYDROXYMETHYL)BUTANOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
80004
Created by admin on Tue Apr 01 19:26:23 GMT 2025 , Edited by admin on Tue Apr 01 19:26:23 GMT 2025
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CAS
5904-58-5
Created by admin on Tue Apr 01 19:26:23 GMT 2025 , Edited by admin on Tue Apr 01 19:26:23 GMT 2025
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FDA UNII
CB5Q4HP8NN
Created by admin on Tue Apr 01 19:26:23 GMT 2025 , Edited by admin on Tue Apr 01 19:26:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID80207792
Created by admin on Tue Apr 01 19:26:23 GMT 2025 , Edited by admin on Tue Apr 01 19:26:23 GMT 2025
PRIMARY
ECHA (EC/EINECS)
227-599-3
Created by admin on Tue Apr 01 19:26:23 GMT 2025 , Edited by admin on Tue Apr 01 19:26:23 GMT 2025
PRIMARY