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

C6H9N3O3 — CID 106400629

IUPAC2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
SMILESO=C(O)CNCCc1ncon1
InChIInChI=1S/C6H9N3O3/c10-6(11)3-7-2-1-5-8-4-12-9-5/h4,7H,1-3H2,(H,10,11)
InChIKeyAKDKZCJDSVOMLB-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.71
Rot. Bonds5

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

2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid (PubChem CID 106400629) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
PubChem CID106400629
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
SMILESO=C(O)CNCCc1ncon1
InChIInChI=1S/C6H9N3O3/c10-6(11)3-7-2-1-5-8-4-12-9-5/h4,7H,1-3H2,(H,10,11)
InChIKeyAKDKZCJDSVOMLB-UHFFFAOYSA-N
XLogP-0.71
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid (CID 106400629) is 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid is O=C(O)CNCCc1ncon1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The InChIKey is AKDKZCJDSVOMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c10-6(11)3-7-2-1-5-8-4-12-9-5/h4,7H,1-3H2,(H,10,11).
What are the key properties of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid has a molecular weight of 171.16 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid is sourced from PubChem (CID 106400629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).