4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid

C6H9N3O3 — CID 82468092

IUPAC4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESNc1nnc(CCCC(=O)O)o1
InChIInChI=1S/C6H9N3O3/c7-6-9-8-4(12-6)2-1-3-5(10)11/h1-3H2,(H2,7,9)(H,10,11)
InChIKeyWLYOPSGXRMSPTI-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.06
Rot. Bonds4

About 4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid

4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 82468092) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID82468092
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESNc1nnc(CCCC(=O)O)o1
InChIInChI=1S/C6H9N3O3/c7-6-9-8-4(12-6)2-1-3-5(10)11/h1-3H2,(H2,7,9)(H,10,11)
InChIKeyWLYOPSGXRMSPTI-UHFFFAOYSA-N
XLogP0.06
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912450
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 63186939
4-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 104521010
4-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 79217137
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
4-(1,3,4-oxadiazol-2-yl)butanoic acid
CID 39235436

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid (CID 82468092) is 4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid is Nc1nnc(CCCC(=O)O)o1.
What is the InChIKey of 4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is WLYOPSGXRMSPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c7-6-9-8-4(12-6)2-1-3-5(10)11/h1-3H2,(H2,7,9)(H,10,11).
What are the key properties of 4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid?
4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid has a molecular weight of 171.16 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 82468092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).