methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate

C9H15N3O3 — CID 62025831

IUPACmethyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate
SMILESCCN(CCC(=O)OC)Cc1ncon1
InChIInChI=1S/C9H15N3O3/c1-3-12(5-4-9(13)14-2)6-8-10-7-15-11-8/h7H,3-6H2,1-2H3
InChIKeyIPVOCYODVIQXSA-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.45
Rot. Bonds6

About methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate

methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate (PubChem CID 62025831) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate
PubChem CID62025831
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Namemethyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate
SMILESCCN(CCC(=O)OC)Cc1ncon1
InChIInChI=1S/C9H15N3O3/c1-3-12(5-4-9(13)14-2)6-8-10-7-15-11-8/h7H,3-6H2,1-2H3
InChIKeyIPVOCYODVIQXSA-UHFFFAOYSA-N
XLogP0.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate (CID 62025831) is methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate is CCN(CCC(=O)OC)Cc1ncon1.
What is the InChIKey of methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate?
The InChIKey is IPVOCYODVIQXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-12(5-4-9(13)14-2)6-8-10-7-15-11-8/h7H,3-6H2,1-2H3.
What are the key properties of methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate?
methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate has a molecular weight of 213.24 g/mol, XLogP of 0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate is sourced from PubChem (CID 62025831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).