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

C7H11N3O3 — CID 61011749

IUPAC2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESCCN(CC(=O)O)Cc1ncon1
InChIInChI=1S/C7H11N3O3/c1-2-10(4-7(11)12)3-6-8-5-13-9-6/h5H,2-4H2,1H3,(H,11,12)
InChIKeyIQMPQOYCXXJYET-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.02
Rot. Bonds5

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

2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (PubChem CID 61011749) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
PubChem CID61011749
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESCCN(CC(=O)O)Cc1ncon1
InChIInChI=1S/C7H11N3O3/c1-2-10(4-7(11)12)3-6-8-5-13-9-6/h5H,2-4H2,1H3,(H,11,12)
InChIKeyIQMPQOYCXXJYET-UHFFFAOYSA-N
XLogP-0.02
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (CID 61011749) is 2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is CCN(CC(=O)O)Cc1ncon1.
What is the InChIKey of 2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The InChIKey is IQMPQOYCXXJYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-2-10(4-7(11)12)3-6-8-5-13-9-6/h5H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid has a molecular weight of 185.18 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 61011749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).