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

C7H9N3O5 — CID 63644797

IUPAC2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)Cc1ncon1
InChIInChI=1S/C7H9N3O5/c11-6(12)2-10(3-7(13)14)1-5-8-4-15-9-5/h4H,1-3H2,(H,11,12)(H,13,14)
InChIKeyUXCHXCJDAUMOFO-UHFFFAOYSA-N
MW215.16 g/mol
LogP-0.96
Rot. Bonds6

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

2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (PubChem CID 63644797) has the molecular formula C7H9N3O5 and a molecular weight of 215.16 g/mol. Its IUPAC name is 2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
PubChem CID63644797
Molecular FormulaC7H9N3O5
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)Cc1ncon1
InChIInChI=1S/C7H9N3O5/c11-6(12)2-10(3-7(13)14)1-5-8-4-15-9-5/h4H,1-3H2,(H,11,12)(H,13,14)
InChIKeyUXCHXCJDAUMOFO-UHFFFAOYSA-N
XLogP-0.96
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (CID 63644797) is 2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)Cc1ncon1.
What is the InChIKey of 2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The InChIKey is UXCHXCJDAUMOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5/c11-6(12)2-10(3-7(13)14)1-5-8-4-15-9-5/h4H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid has a molecular weight of 215.16 g/mol, XLogP of -0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 63644797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).