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

C11H19N3O3 — CID 71918122

IUPACmethyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate
SMILESCCC(C)(CC(=O)OC)NCc1noc(C)n1
InChIInChI=1S/C11H19N3O3/c1-5-11(3,6-10(15)16-4)12-7-9-13-8(2)17-14-9/h12H,5-7H2,1-4H3
InChIKeySWCUBXJMBICVAG-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.20
Rot. Bonds6

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

methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate (PubChem CID 71918122) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate
PubChem CID71918122
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namemethyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate
SMILESCCC(C)(CC(=O)OC)NCc1noc(C)n1
InChIInChI=1S/C11H19N3O3/c1-5-11(3,6-10(15)16-4)12-7-9-13-8(2)17-14-9/h12H,5-7H2,1-4H3
InChIKeySWCUBXJMBICVAG-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate?
The IUPAC name of methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate (CID 71918122) is methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate.
What is the SMILES notation for methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate?
The canonical SMILES for methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate is CCC(C)(CC(=O)OC)NCc1noc(C)n1.
What is the InChIKey of methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate?
The InChIKey is SWCUBXJMBICVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-11(3,6-10(15)16-4)12-7-9-13-8(2)17-14-9/h12H,5-7H2,1-4H3.
What are the key properties of methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate?
methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate has a molecular weight of 241.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate is sourced from PubChem (CID 71918122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).