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

C6H9N3O3 — CID 43442236

IUPAC2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)Cc1ncon1
InChIInChI=1S/C6H9N3O3/c1-9(3-6(10)11)2-5-7-4-12-8-5/h4H,2-3H2,1H3,(H,10,11)
InChIKeyQTXPULBWUBIDFX-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.41
Rot. Bonds4

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

2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (PubChem CID 43442236) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
PubChem CID43442236
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)Cc1ncon1
InChIInChI=1S/C6H9N3O3/c1-9(3-6(10)11)2-5-7-4-12-8-5/h4H,2-3H2,1H3,(H,10,11)
InChIKeyQTXPULBWUBIDFX-UHFFFAOYSA-N
XLogP-0.41
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (CID 43442236) is 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is CN(CC(=O)O)Cc1ncon1.
What is the InChIKey of 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The InChIKey is QTXPULBWUBIDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-9(3-6(10)11)2-5-7-4-12-8-5/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid has a molecular weight of 171.16 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 43442236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).