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

C5H6N2O4 — CID 83815576

IUPAC3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid
SMILESO=C(O)CCn1ncoc1=O
InChIInChI=1S/C5H6N2O4/c8-4(9)1-2-7-5(10)11-3-6-7/h3H,1-2H2,(H,8,9)
InChIKeyQHFVKVAAWVLENA-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.69
Rot. Bonds3

About 3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid

3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid (PubChem CID 83815576) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid
PubChem CID83815576
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid
SMILESO=C(O)CCn1ncoc1=O
InChIInChI=1S/C5H6N2O4/c8-4(9)1-2-7-5(10)11-3-6-7/h3H,1-2H2,(H,8,9)
InChIKeyQHFVKVAAWVLENA-UHFFFAOYSA-N
XLogP-0.69
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid?
The IUPAC name of 3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid (CID 83815576) is 3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid?
The canonical SMILES for 3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid is O=C(O)CCn1ncoc1=O.
What is the InChIKey of 3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid?
The InChIKey is QHFVKVAAWVLENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c8-4(9)1-2-7-5(10)11-3-6-7/h3H,1-2H2,(H,8,9).
What are the key properties of 3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid?
3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid has a molecular weight of 158.11 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid is sourced from PubChem (CID 83815576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).