2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid

C11H11N3O3 — CID 66172483

IUPAC2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid
SMILESCC(Nc1ccc(-c2nnco2)cc1)C(=O)O
InChIInChI=1S/C11H11N3O3/c1-7(11(15)16)13-9-4-2-8(3-5-9)10-14-12-6-17-10/h2-7,13H,1H3,(H,15,16)
InChIKeyXCWSXJXJHLPZEU-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.62
Rot. Bonds4

About 2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid

2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid (PubChem CID 66172483) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid
PubChem CID66172483
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid
SMILESCC(Nc1ccc(-c2nnco2)cc1)C(=O)O
InChIInChI=1S/C11H11N3O3/c1-7(11(15)16)13-9-4-2-8(3-5-9)10-14-12-6-17-10/h2-7,13H,1H3,(H,15,16)
InChIKeyXCWSXJXJHLPZEU-UHFFFAOYSA-N
XLogP1.62
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid?
The IUPAC name of 2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid (CID 66172483) is 2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid.
What is the SMILES notation for 2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid?
The canonical SMILES for 2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid is CC(Nc1ccc(-c2nnco2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid?
The InChIKey is XCWSXJXJHLPZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7(11(15)16)13-9-4-2-8(3-5-9)10-14-12-6-17-10/h2-7,13H,1H3,(H,15,16).
What are the key properties of 2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid?
2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid has a molecular weight of 233.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid is sourced from PubChem (CID 66172483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).