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

C11H16N4O5 — CID 106401312

IUPAC3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC(=O)NCc1ncon1
InChIInChI=1S/C11H16N4O5/c1-11(2,4-9(17)18)3-8(16)14-10(19)12-5-7-13-6-20-15-7/h6H,3-5H2,1-2H3,(H,17,18)(H2,12,14,16,19)
InChIKeyXKLPVVPOUZLMDD-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.29
Rot. Bonds6

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

3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 106401312) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID106401312
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC(=O)NCc1ncon1
InChIInChI=1S/C11H16N4O5/c1-11(2,4-9(17)18)3-8(16)14-10(19)12-5-7-13-6-20-15-7/h6H,3-5H2,1-2H3,(H,17,18)(H2,12,14,16,19)
InChIKeyXKLPVVPOUZLMDD-UHFFFAOYSA-N
XLogP0.29
TPSA134.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid (CID 106401312) is 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NC(=O)NCc1ncon1.
What is the InChIKey of 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is XKLPVVPOUZLMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-11(2,4-9(17)18)3-8(16)14-10(19)12-5-7-13-6-20-15-7/h6H,3-5H2,1-2H3,(H,17,18)(H2,12,14,16,19).
What are the key properties of 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 284.27 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 106401312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).