5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid

C10H15N3O4 — CID 103603976

IUPAC5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid
SMILESCc1nc(CCNC(=O)CCCC(=O)O)no1
InChIInChI=1S/C10H15N3O4/c1-7-12-8(13-17-7)5-6-11-9(14)3-2-4-10(15)16/h2-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyTYHXMHZGQDUWCY-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.29
Rot. Bonds7

About 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid

5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 103603976) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid
PubChem CID103603976
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid
SMILESCc1nc(CCNC(=O)CCCC(=O)O)no1
InChIInChI=1S/C10H15N3O4/c1-7-12-8(13-17-7)5-6-11-9(14)3-2-4-10(15)16/h2-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyTYHXMHZGQDUWCY-UHFFFAOYSA-N
XLogP0.29
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid (CID 103603976) is 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid is Cc1nc(CCNC(=O)CCCC(=O)O)no1.
What is the InChIKey of 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is TYHXMHZGQDUWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7-12-8(13-17-7)5-6-11-9(14)3-2-4-10(15)16/h2-6H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid?
5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 103603976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).