3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid

C11H19N3O3 — CID 55122671

IUPAC3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCc1nc(CN(CC)CC(C)C(=O)O)no1
InChIInChI=1S/C11H19N3O3/c1-4-10-12-9(13-17-10)7-14(5-2)6-8(3)11(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyZQYJEOROTHOQGE-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.17
Rot. Bonds7

About 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid

3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid (PubChem CID 55122671) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
PubChem CID55122671
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCc1nc(CN(CC)CC(C)C(=O)O)no1
InChIInChI=1S/C11H19N3O3/c1-4-10-12-9(13-17-10)7-14(5-2)6-8(3)11(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyZQYJEOROTHOQGE-UHFFFAOYSA-N
XLogP1.17
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid (CID 55122671) is 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid is CCc1nc(CN(CC)CC(C)C(=O)O)no1.
What is the InChIKey of 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is ZQYJEOROTHOQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-10-12-9(13-17-10)7-14(5-2)6-8(3)11(15)16/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55122671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).