2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid

C9H11N3O4 — CID 70608092

IUPAC2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid
SMILESC=CCNC(=O)Cc1nc(CC(=O)O)no1
InChIInChI=1S/C9H11N3O4/c1-2-3-10-7(13)5-8-11-6(12-16-8)4-9(14)15/h2H,1,3-5H2,(H,10,13)(H,14,15)
InChIKeyGZSVXIAOBDEXIJ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.46
Rot. Bonds6

About 2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid

2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid (PubChem CID 70608092) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid
PubChem CID70608092
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid
SMILESC=CCNC(=O)Cc1nc(CC(=O)O)no1
InChIInChI=1S/C9H11N3O4/c1-2-3-10-7(13)5-8-11-6(12-16-8)4-9(14)15/h2H,1,3-5H2,(H,10,13)(H,14,15)
InChIKeyGZSVXIAOBDEXIJ-UHFFFAOYSA-N
XLogP-0.46
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid (CID 70608092) is 2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid is C=CCNC(=O)Cc1nc(CC(=O)O)no1.
What is the InChIKey of 2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid?
The InChIKey is GZSVXIAOBDEXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-2-3-10-7(13)5-8-11-6(12-16-8)4-9(14)15/h2H,1,3-5H2,(H,10,13)(H,14,15).
What are the key properties of 2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid?
2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid has a molecular weight of 225.20 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-oxo-2-(prop-2-enylamino)ethyl]-1,2,4-oxadiazol-3-yl]acetic acid is sourced from PubChem (CID 70608092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).