6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid

C10H15N3O4 — CID 106394673

IUPAC6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCCc1ncno1
InChIInChI=1S/C10H15N3O4/c14-8(3-1-2-4-10(15)16)11-6-5-9-12-7-13-17-9/h7H,1-6H2,(H,11,14)(H,15,16)
InChIKeyQTDDPSYDWDMMIW-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.37
Rot. Bonds8

About 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid

6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid (PubChem CID 106394673) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid
PubChem CID106394673
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCCc1ncno1
InChIInChI=1S/C10H15N3O4/c14-8(3-1-2-4-10(15)16)11-6-5-9-12-7-13-17-9/h7H,1-6H2,(H,11,14)(H,15,16)
InChIKeyQTDDPSYDWDMMIW-UHFFFAOYSA-N
XLogP0.37
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.37
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 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid (CID 106394673) is 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid is O=C(O)CCCCC(=O)NCCc1ncno1.
What is the InChIKey of 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid?
The InChIKey is QTDDPSYDWDMMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c14-8(3-1-2-4-10(15)16)11-6-5-9-12-7-13-17-9/h7H,1-6H2,(H,11,14)(H,15,16).
What are the key properties of 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid?
6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid is sourced from PubChem (CID 106394673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).