2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid

C6H6N2O5 — CID 21312919

IUPAC2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cc1noc(CC(=O)O)n1
InChIInChI=1S/C6H6N2O5/c9-5(10)1-3-7-4(13-8-3)2-6(11)12/h1-2H2,(H,9,10)(H,11,12)
InChIKeyANYVFOJLQKTQKU-UHFFFAOYSA-N
MW186.12 g/mol
LogP-0.68
Rot. Bonds4

About 2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid

2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid (PubChem CID 21312919) has the molecular formula C6H6N2O5 and a molecular weight of 186.12 g/mol. Its IUPAC name is 2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid
PubChem CID21312919
Molecular FormulaC6H6N2O5
Molecular Weight186.12 g/mol
Exact Mass186.03
IUPAC Name2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid
SMILESO=C(O)Cc1noc(CC(=O)O)n1
InChIInChI=1S/C6H6N2O5/c9-5(10)1-3-7-4(13-8-3)2-6(11)12/h1-2H2,(H,9,10)(H,11,12)
InChIKeyANYVFOJLQKTQKU-UHFFFAOYSA-N
XLogP-0.68
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid (CID 21312919) is 2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid is O=C(O)Cc1noc(CC(=O)O)n1.
What is the InChIKey of 2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
The InChIKey is ANYVFOJLQKTQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O5/c9-5(10)1-3-7-4(13-8-3)2-6(11)12/h1-2H2,(H,9,10)(H,11,12).
What are the key properties of 2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid?
2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid has a molecular weight of 186.12 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid is sourced from PubChem (CID 21312919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).