methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate

C9H13N3O5 — CID 55153085

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1ncon1
InChIInChI=1S/C9H13N3O5/c1-15-8(13)4-12(5-9(14)16-2)3-7-10-6-17-11-7/h6H,3-5H2,1-2H3
InChIKeyFGAGDIRRDCKKAB-UHFFFAOYSA-N
MW243.22 g/mol
LogP-0.78
Rot. Bonds6

About methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate (PubChem CID 55153085) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate
PubChem CID55153085
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1ncon1
InChIInChI=1S/C9H13N3O5/c1-15-8(13)4-12(5-9(14)16-2)3-7-10-6-17-11-7/h6H,3-5H2,1-2H3
InChIKeyFGAGDIRRDCKKAB-UHFFFAOYSA-N
XLogP-0.78
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate 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 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate (CID 55153085) is methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate is COC(=O)CN(CC(=O)OC)Cc1ncon1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate?
The InChIKey is FGAGDIRRDCKKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-15-8(13)4-12(5-9(14)16-2)3-7-10-6-17-11-7/h6H,3-5H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate has a molecular weight of 243.22 g/mol, XLogP of -0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate is sourced from PubChem (CID 55153085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).