3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid

C9H15N3O3 — CID 62853157

IUPAC3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid
SMILESCCN(Cc1ncon1)CC(C)C(=O)O
InChIInChI=1S/C9H15N3O3/c1-3-12(4-7(2)9(13)14)5-8-10-6-15-11-8/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyOMRXOEGYIZJLCV-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.61
Rot. Bonds6

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

3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid (PubChem CID 62853157) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid
PubChem CID62853157
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid
SMILESCCN(Cc1ncon1)CC(C)C(=O)O
InChIInChI=1S/C9H15N3O3/c1-3-12(4-7(2)9(13)14)5-8-10-6-15-11-8/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyOMRXOEGYIZJLCV-UHFFFAOYSA-N
XLogP0.61
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid (CID 62853157) is 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid is CCN(Cc1ncon1)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid?
The InChIKey is OMRXOEGYIZJLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-12(4-7(2)9(13)14)5-8-10-6-15-11-8/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid?
3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid has a molecular weight of 213.24 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62853157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).