2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid

C8H11N3O5 — CID 106394688

IUPAC2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCCc1ncno1
InChIInChI=1S/C8H11N3O5/c12-6(3-15-4-8(13)14)9-2-1-7-10-5-11-16-7/h5H,1-4H2,(H,9,12)(H,13,14)
InChIKeyPZIFHGVOTQXEFY-UHFFFAOYSA-N
MW229.19 g/mol
LogP-1.17
Rot. Bonds7

About 2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid

2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid (PubChem CID 106394688) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is 2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid
PubChem CID106394688
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCCc1ncno1
InChIInChI=1S/C8H11N3O5/c12-6(3-15-4-8(13)14)9-2-1-7-10-5-11-16-7/h5H,1-4H2,(H,9,12)(H,13,14)
InChIKeyPZIFHGVOTQXEFY-UHFFFAOYSA-N
XLogP-1.17
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid (CID 106394688) is 2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NCCc1ncno1.
What is the InChIKey of 2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid?
The InChIKey is PZIFHGVOTQXEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5/c12-6(3-15-4-8(13)14)9-2-1-7-10-5-11-16-7/h5H,1-4H2,(H,9,12)(H,13,14).
What are the key properties of 2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid?
2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid has a molecular weight of 229.19 g/mol, XLogP of -1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 106394688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).