methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate

C11H17N3O3 — CID 62010684

IUPACmethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C11H17N3O3/c1-14(6-5-10(15)16-2)7-9-12-11(17-13-9)8-3-4-8/h8H,3-7H2,1-2H3
InChIKeyCVACXGDJXCKLDC-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.94
Rot. Bonds6

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

methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate (PubChem CID 62010684) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
PubChem CID62010684
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C11H17N3O3/c1-14(6-5-10(15)16-2)7-9-12-11(17-13-9)8-3-4-8/h8H,3-7H2,1-2H3
InChIKeyCVACXGDJXCKLDC-UHFFFAOYSA-N
XLogP0.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62013173
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
CID 167922337
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 91834513
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 91783670
methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964261
5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
CID 136548145
methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate
CID 62012272
1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 131937175
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 122565612

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate?
The IUPAC name of methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate (CID 62010684) is methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate is COC(=O)CCN(C)Cc1noc(C2CC2)n1.
What is the InChIKey of methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate?
The InChIKey is CVACXGDJXCKLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14(6-5-10(15)16-2)7-9-12-11(17-13-9)8-3-4-8/h8H,3-7H2,1-2H3.
What are the key properties of methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate?
methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate has a molecular weight of 239.27 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate is sourced from PubChem (CID 62010684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).