methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate

C9H15N3O3 — CID 55028833

IUPACmethyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1ncno1
InChIInChI=1S/C9H15N3O3/c1-7(9(13)14-3)4-12(2)5-8-10-6-11-15-8/h6-7H,4-5H2,1-3H3
InChIKeyOPZBMODBIQCMRC-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.31
Rot. Bonds5

About methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate

methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate (PubChem CID 55028833) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate
PubChem CID55028833
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Namemethyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1ncno1
InChIInChI=1S/C9H15N3O3/c1-7(9(13)14-3)4-12(2)5-8-10-6-11-15-8/h6-7H,4-5H2,1-3H3
InChIKeyOPZBMODBIQCMRC-UHFFFAOYSA-N
XLogP0.31
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate (CID 55028833) is methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate is COC(=O)C(C)CN(C)Cc1ncno1.
What is the InChIKey of methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate?
The InChIKey is OPZBMODBIQCMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-7(9(13)14-3)4-12(2)5-8-10-6-11-15-8/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate?
methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate has a molecular weight of 213.24 g/mol, XLogP of 0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoate is sourced from PubChem (CID 55028833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).