1-methylcyclopropanecarboxylic acid   Click here for help

GtoPdb Ligand ID: 6500

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 100.05
XLogP 0.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1(C)CC1
Isomeric SMILES OC(=O)C1(C)CC1
InChI InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
InChI Key DIZKLZKLNKQFGB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-methylcyclopropane-1-carboxylic acid
Database Links Click here for help
CAS Registry No. 6914-76-7 (source: Scifinder)
GtoPdb PubChem SID 178103114
PubChem CID 81326
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