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

C6H9N3O3 — CID 43466325

IUPAC3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid
SMILESO=C(O)CCNCc1ncno1
InChIInChI=1S/C6H9N3O3/c10-6(11)1-2-7-3-5-8-4-9-12-5/h4,7H,1-3H2,(H,10,11)
InChIKeyWFQNMLWMJLZQIA-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.37
Rot. Bonds5

About 3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid

3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid (PubChem CID 43466325) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid
PubChem CID43466325
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid
SMILESO=C(O)CCNCc1ncno1
InChIInChI=1S/C6H9N3O3/c10-6(11)1-2-7-3-5-8-4-9-12-5/h4,7H,1-3H2,(H,10,11)
InChIKeyWFQNMLWMJLZQIA-UHFFFAOYSA-N
XLogP-0.37
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid?
The IUPAC name of 3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid (CID 43466325) is 3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid.
What is the SMILES notation for 3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid?
The canonical SMILES for 3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid is O=C(O)CCNCc1ncno1.
What is the InChIKey of 3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid?
The InChIKey is WFQNMLWMJLZQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c10-6(11)1-2-7-3-5-8-4-9-12-5/h4,7H,1-3H2,(H,10,11).
What are the key properties of 3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid?
3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid has a molecular weight of 171.16 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid is sourced from PubChem (CID 43466325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).