4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid

C12H20N4O4 — CID 106402581

IUPAC4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCc1nc(CNC(=O)NCC(CC(C)C)C(=O)O)no1
InChIInChI=1S/C12H20N4O4/c1-7(2)4-9(11(17)18)5-13-12(19)14-6-10-15-8(3)20-16-10/h7,9H,4-6H2,1-3H3,(H,17,18)(H2,13,14,19)
InChIKeyNFFYIYUWSBIJDX-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.92
Rot. Bonds7

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

4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid (PubChem CID 106402581) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid
PubChem CID106402581
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCc1nc(CNC(=O)NCC(CC(C)C)C(=O)O)no1
InChIInChI=1S/C12H20N4O4/c1-7(2)4-9(11(17)18)5-13-12(19)14-6-10-15-8(3)20-16-10/h7,9H,4-6H2,1-3H3,(H,17,18)(H2,13,14,19)
InChIKeyNFFYIYUWSBIJDX-UHFFFAOYSA-N
XLogP0.92
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid (CID 106402581) is 4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid is Cc1nc(CNC(=O)NCC(CC(C)C)C(=O)O)no1.
What is the InChIKey of 4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is NFFYIYUWSBIJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-7(2)4-9(11(17)18)5-13-12(19)14-6-10-15-8(3)20-16-10/h7,9H,4-6H2,1-3H3,(H,17,18)(H2,13,14,19).
What are the key properties of 4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid?
4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 284.32 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 106402581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).