Summary

IMPPAT Phytochemical identifier: IMPHY016292

Phytochemical name: Water pivalic acid

Synonymous chemical names:
2,2-dimethylpropanoic acid

External chemical identifiers:
CID:22355462, SureChEMBL:SCHEMBL8802068

---

Chemical structure information

SMILES:
OC(=O)C(C)(C)C.O

InChI:
InChI=1S/C5H10O2.H2O/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);1H2

InChIKey:
LIGFJRUTTPCATD-UHFFFAOYSA-N

DeepSMILES:
OC=O)CC)C)C.O

Functional groups:
CC(=O)O, O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Branched fatty acids

NP-Likeness score: 0.217

---

Chemical structure download