4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid

C7H11N3O3 — CID 43473392

IUPAC4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
SMILESO=C(O)CCCNCc1ncon1
InChIInChI=1S/C7H11N3O3/c11-7(12)2-1-3-8-4-6-9-5-13-10-6/h5,8H,1-4H2,(H,11,12)
InChIKeyMNJAKADUJFQUPN-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.02
Rot. Bonds6

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

4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid (PubChem CID 43473392) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
PubChem CID43473392
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
SMILESO=C(O)CCCNCc1ncon1
InChIInChI=1S/C7H11N3O3/c11-7(12)2-1-3-8-4-6-9-5-13-10-6/h5,8H,1-4H2,(H,11,12)
InChIKeyMNJAKADUJFQUPN-UHFFFAOYSA-N
XLogP0.02
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.02
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 4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid?
The IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid (CID 43473392) is 4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid is O=C(O)CCCNCc1ncon1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid?
The InChIKey is MNJAKADUJFQUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c11-7(12)2-1-3-8-4-6-9-5-13-10-6/h5,8H,1-4H2,(H,11,12).
What are the key properties of 4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid?
4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid has a molecular weight of 185.18 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid is sourced from PubChem (CID 43473392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).