5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid

C8H11N3O4 — CID 106394640

IUPAC5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ncon1
InChIInChI=1S/C8H11N3O4/c12-7(2-1-3-8(13)14)9-4-6-10-5-15-11-6/h5H,1-4H2,(H,9,12)(H,13,14)
InChIKeyRDJCCIBSQZDXIW-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.06
Rot. Bonds6

About 5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid

5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid (PubChem CID 106394640) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
PubChem CID106394640
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ncon1
InChIInChI=1S/C8H11N3O4/c12-7(2-1-3-8(13)14)9-4-6-10-5-15-11-6/h5H,1-4H2,(H,9,12)(H,13,14)
InChIKeyRDJCCIBSQZDXIW-UHFFFAOYSA-N
XLogP-0.06
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid (CID 106394640) is 5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NCc1ncon1.
What is the InChIKey of 5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid?
The InChIKey is RDJCCIBSQZDXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-7(2-1-3-8(13)14)9-4-6-10-5-15-11-6/h5H,1-4H2,(H,9,12)(H,13,14).
What are the key properties of 5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid?
5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid has a molecular weight of 213.19 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 106394640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).