3-METHYL-BUTANOIC-ACID

Structure

2D structure of 3-METHYL-BUTANOIC-ACID
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10430

Names and identifiers

Name

3-METHYL-BUTANOIC-ACID

Also reported as

ISOVALERIC-ACID

IUPAC name

3-methylbutanoic acid

SMILES

CC(C)CC(=O)O

General information

Molecular formula

C5H10O2

Molecular weight

102.13 g/mol

Monoisotopic mass

102.0681 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Achillea millefolium L. subsp. millefolium - -
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.
Arctium lappa L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Humulus lupulus L. essential oil -
Jeffery B. Harborne and H. Baxter, eds. 1983. Phytochemical Dictionary. A Handbook of Bioactive Compounds from Plants. Taylor & Frost, London. 791 pp.
Humulus lupulus L. flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Hypericum perforatum L. - -
Newall, C. A., Anderson, L. A. and Phillipson, J. D. 1996. Herbal Medicine - A Guide for Health-care Professionals. The Pharmaceutical Press, London. 296pp.
Prunus persica (L.) Batsch fruit -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Rubus idaeus L. subsp. idaeus fruit -
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.