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

C6H9N3O3 — CID 43466754

IUPAC3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
SMILESO=C(O)CCNCc1ncon1
InChIInChI=1S/C6H9N3O3/c10-6(11)1-2-7-3-5-8-4-12-9-5/h4,7H,1-3H2,(H,10,11)
InChIKeyGQVYZNVHOZDRIQ-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.37
Rot. Bonds5

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

3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid (PubChem CID 43466754) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
PubChem CID43466754
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
SMILESO=C(O)CCNCc1ncon1
InChIInChI=1S/C6H9N3O3/c10-6(11)1-2-7-3-5-8-4-12-9-5/h4,7H,1-3H2,(H,10,11)
InChIKeyGQVYZNVHOZDRIQ-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'}

Analyze 3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-Trifluoro-2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]propanoic acid
CID 106401744
3,3,3-Trifluoro-2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]propanoic acid
CID 106402008
2,2-Difluoro-3-{[(1,2,4-oxadiazol-3-yl)methyl]amino}propanoic acid
CID 165789001
1,2,4-Oxadiazole-3-acetic acid
CID 22315337
3-{[(5-Methyl-1,2,4-oxadiazol-3-YL)methyl]amino}propanoic acid
CID 16769594
2-(1,2,4-Oxadiazol-3-ylmethylamino)acetic acid
CID 43466222
2-(1,2,4-Oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
4-(1,2,4-Oxadiazol-3-ylmethylamino)butanoic acid
CID 43473392
3-[4-(1,2,4-Oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 43522479
3-[Tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
CID 60833660
3-[1,2,4-Oxadiazol-3-ylmethyl(propan-2-yl)amino]propanoic acid
CID 60840191
3-[Cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
CID 60840214

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid (CID 43466754) is 3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid.
What is the SMILES notation for 3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The canonical SMILES for 3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid is O=C(O)CCNCc1ncon1.
What is the InChIKey of 3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The InChIKey is GQVYZNVHOZDRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c10-6(11)1-2-7-3-5-8-4-12-9-5/h4,7H,1-3H2,(H,10,11).
What are the key properties of 3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
3-(1,2,4-oxadiazol-3-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-3-ylmethylamino)propanoic acid is sourced from PubChem (CID 43466754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).