2-(3-Ethyl-1,2,4-oxadiazol-5-yl)propanoic acid

HCID 21312995

Notes Reactions

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Basic information

Standard SMILES: CCc1noc(C(C)C(=O)O)n1
InChIKey: KENPOHOXFDQEPU-UHFFFAOYSA-N
Molecular formula: C7H10N2O3
Average molar mass: 170.17 g/mol

Names & identifiers

Preferred name: 2-(3-Ethyl-1,2,4-oxadiazol-5-yl)propanoic acid
IUPAC: 2-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoic acid

Names & synonyms

2-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoic acid55152-20-0SCHEMBL11555355KENPOHOXFDQEPU-UHFFFAOYSA-NEN300-10864852-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoicacidalpha-(3-ethyl-1,2,4-oxadiazol-5-yl)-propionic acid

Database identifiers

PubChem CID: 21312995

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 76.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Related reactions

2 records

New reaction record

HRID 809506As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 971709As reactantuspto-grants-1979_07

Compound notes

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