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

C8H9N3O3 — CID 79283098

IUPAC2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)Cc1ncon1
InChIInChI=1S/C8H9N3O3/c1-2-3-11(5-8(12)13)4-7-9-6-14-10-7/h1,6H,3-5H2,(H,12,13)
InChIKeyFZHFSDURDJYTOJ-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.41
Rot. Bonds5

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

2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid (PubChem CID 79283098) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid
PubChem CID79283098
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)Cc1ncon1
InChIInChI=1S/C8H9N3O3/c1-2-3-11(5-8(12)13)4-7-9-6-14-10-7/h1,6H,3-5H2,(H,12,13)
InChIKeyFZHFSDURDJYTOJ-UHFFFAOYSA-N
XLogP-0.41
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]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-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid?
The IUPAC name of 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid (CID 79283098) is 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid?
The canonical SMILES for 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid is C#CCN(CC(=O)O)Cc1ncon1.
What is the InChIKey of 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid?
The InChIKey is FZHFSDURDJYTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-2-3-11(5-8(12)13)4-7-9-6-14-10-7/h1,6H,3-5H2,(H,12,13).
What are the key properties of 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid?
2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid has a molecular weight of 195.18 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid is sourced from PubChem (CID 79283098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).