4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid

C12H20N4O4 — CID 106403284

IUPAC4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NCc1ncon1)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-12(2,3)4-8(10(17)18)5-13-11(19)14-6-9-15-7-20-16-9/h7-8H,4-6H2,1-3H3,(H,17,18)(H2,13,14,19)
InChIKeyCRHCJXIPEIDJRP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.01
Rot. Bonds6

About 4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid

4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid (PubChem CID 106403284) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid
PubChem CID106403284
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NCc1ncon1)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-12(2,3)4-8(10(17)18)5-13-11(19)14-6-9-15-7-20-16-9/h7-8H,4-6H2,1-3H3,(H,17,18)(H2,13,14,19)
InChIKeyCRHCJXIPEIDJRP-UHFFFAOYSA-N
XLogP1.01
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid with MolForge

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Related Compounds

2-[[(3-Methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 65222411
4,4-Dimethyl-6-(1,2,4-oxadiazol-3-ylmethylamino)hexanoic acid
CID 65287625
4-Methyl-6-(1,2,4-oxadiazol-3-ylmethylamino)hexanoic acid
CID 65289710
4-Methyl-2-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 80115074
3,3-Dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
CID 106394618
2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
CID 106397226
3,3-Dimethyl-5-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 106401312
2,2-Dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106401315
3,3-Dimethyl-5-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106401331
4-Methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 106402581
1-[[(5-Methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106402668
4,4-Dimethyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 106402751

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid (CID 106403284) is 4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid is CC(C)(C)CC(CNC(=O)NCc1ncon1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is CRHCJXIPEIDJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-12(2,3)4-8(10(17)18)5-13-11(19)14-6-9-15-7-20-16-9/h7-8H,4-6H2,1-3H3,(H,17,18)(H2,13,14,19).
What are the key properties of 4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid?
4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 284.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 106403284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).