2D Structure

3D Structure

(R)-2-Methylbutyric Acid


Properties
PID PID00151
Mol. Weight 102.133 g/mol
LogP 1.18
Water solubility 0.562 mol/L at 20 °C
Hydrogen Bond Donor 1
Hydrogen Bond Acceptor 2
Rotatable Bonds 2
XLogP3 1.2

(R)-2-Methylbutyric Acid

Identifiers
Formula C5H10O2
PubChem CID 6950479
FEMA -
Flavor Profile None
Smiles CCC(C)C(=O)O
InChl Key WLAMNBDJUVNPJU-SCSAIBSYSA-N
InChl InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1
CAS Registry Number 32231-50-8, 116-53-0
IUPAC Systematic Name (2R)-(R)-2-Methylbutyric Acid

Organ Location Map/System Distribution of Pungent Flavor Compounds’ Targets


Note: Known Targets (Gene) from 6952 literatures, DrugBank (http://www.drugbank.ca/), STITCH (http://stitch.embl.de/), ChEMBL (https://www.ebi.ac.uk/chembl/), Therapeutic Target Database (http://bidd.nus.edu.sg/group/ttd/), and Comparative Toxicogenomics Database (CTD, http://ctdbase.org/)

Related Pungent TCM

English Name Pinyin Name (Chinese Name) Latin Name Properties in TCM merdians View Graph
Cassiabarktree TwigGui Zhi (桂枝)Cinnamomi RamulusWarm, Pungent, SweetLung, Bladder, HeartView Graph
SafflowerHong Hua (红花)Carthami FlosWarm,PungentLiver, HeartView Graph

Pharmacological action

(R)-2-methylbutyric acid is the (R)-enantiomer of 2-methylbutanoic acid. It is an enantiomer of a (S)-2-methylbutyric acid.



Note: Click anywhere in the blank, you can drag the whole dynamic diagram. Click on a node, you can drag his location to see it more clearly. The blue circle represents pharmacology, toxicology, or daily use. Orange hexagon represents the pungent compounds.

References

1. Zhang, C. B., Li, Y., Liu, W. K., Zhang, H. Q., Yang, H., Li, Q. S., Xing, G. Z. Synthesis, liquid crystalline and luminescent properties of trimeric phenylenevinylene with end-groups of (R)-(+)-2-methylbutyric acid ester[J]. Chinese Chemical Letters, 2009, 20(12): 1423-1426.

2. https://pubchem.ncbi.nlm.nih.gov/compound/6950479#section=Top