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

C11H19N3O3 — CID 106415877

IUPACmethyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCCc1noc(C)n1
InChIInChI=1S/C11H19N3O3/c1-8-13-9(14-17-8)5-6-12-7-11(2,3)10(15)16-4/h12H,5-7H2,1-4H3
InChIKeyBDUYKTLFCKTGCA-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.71
Rot. Bonds6

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

methyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate (PubChem CID 106415877) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
PubChem CID106415877
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namemethyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCCc1noc(C)n1
InChIInChI=1S/C11H19N3O3/c1-8-13-9(14-17-8)5-6-12-7-11(2,3)10(15)16-4/h12H,5-7H2,1-4H3
InChIKeyBDUYKTLFCKTGCA-UHFFFAOYSA-N
XLogP0.71
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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 methyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate (CID 106415877) is methyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate is COC(=O)C(C)(C)CNCCc1noc(C)n1.
What is the InChIKey of methyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The InChIKey is BDUYKTLFCKTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8-13-9(14-17-8)5-6-12-7-11(2,3)10(15)16-4/h12H,5-7H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
methyl 2,2-dimethyl-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, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate is sourced from PubChem (CID 106415877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).