ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate

C11H19N3O3 — CID 106415870

IUPACethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)CNCCc1noc(C)n1
InChIInChI=1S/C11H19N3O3/c1-4-16-11(15)8(2)7-12-6-5-10-13-9(3)17-14-10/h8,12H,4-7H2,1-3H3
InChIKeyQVJPNNKDFXUTCQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.71
Rot. Bonds7

About ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate

ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate (PubChem CID 106415870) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
PubChem CID106415870
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nameethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)CNCCc1noc(C)n1
InChIInChI=1S/C11H19N3O3/c1-4-16-11(15)8(2)7-12-6-5-10-13-9(3)17-14-10/h8,12H,4-7H2,1-3H3
InChIKeyQVJPNNKDFXUTCQ-UHFFFAOYSA-N
XLogP0.71
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The IUPAC name of ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate (CID 106415870) is ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate is CCOC(=O)C(C)CNCCc1noc(C)n1.
What is the InChIKey of ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The InChIKey is QVJPNNKDFXUTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-16-11(15)8(2)7-12-6-5-10-13-9(3)17-14-10/h8,12H,4-7H2,1-3H3.
What are the key properties of ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate has a molecular weight of 241.29 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate is sourced from PubChem (CID 106415870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).