ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate

C9H15N3O3 — CID 106398643

IUPACethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)CNCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-3-14-9(13)7(2)4-10-5-8-11-6-15-12-8/h6-7,10H,3-5H2,1-2H3
InChIKeyASPMIMOGUVLZJG-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.36
Rot. Bonds6

About ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate

ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate (PubChem CID 106398643) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
PubChem CID106398643
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nameethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)CNCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-3-14-9(13)7(2)4-10-5-8-11-6-15-12-8/h6-7,10H,3-5H2,1-2H3
InChIKeyASPMIMOGUVLZJG-UHFFFAOYSA-N
XLogP0.36
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106399242
3,3,3-Trifluoro-2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]propanoic acid
CID 106401744
3-(1,2,4-Oxadiazol-3-ylmethylamino)propanoic acid
CID 43466754
2-Methyl-3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
CID 61599660
Methyl 3-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
CID 61671621
Ethyl 2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoate
CID 61717954
Ethyl 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate
CID 61972135
Ethyl 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate
CID 61972526
Ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate
CID 61972701
Ethyl 3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
CID 61972702
Ethyl 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoate
CID 61972719
Methyl 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate
CID 62010695

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
The IUPAC name of ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate (CID 106398643) is ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
The canonical SMILES for ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate is CCOC(=O)C(C)CNCc1ncon1.
What is the InChIKey of ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
The InChIKey is ASPMIMOGUVLZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-14-9(13)7(2)4-10-5-8-11-6-15-12-8/h6-7,10H,3-5H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate has a molecular weight of 213.24 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate is sourced from PubChem (CID 106398643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).