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

C10H14N4O5 — CID 106401315

IUPAC2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NC(=O)NCc1ncon1)C(=O)O
InChIInChI=1S/C10H14N4O5/c1-10(2,8(16)17)3-7(15)13-9(18)11-4-6-12-5-19-14-6/h5H,3-4H2,1-2H3,(H,16,17)(H2,11,13,15,18)
InChIKeyBGGIKWFLGFRRBO-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.10
Rot. Bonds5

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

2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 106401315) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
PubChem CID106401315
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NC(=O)NCc1ncon1)C(=O)O
InChIInChI=1S/C10H14N4O5/c1-10(2,8(16)17)3-7(15)13-9(18)11-4-6-12-5-19-14-6/h5H,3-4H2,1-2H3,(H,16,17)(H2,11,13,15,18)
InChIKeyBGGIKWFLGFRRBO-UHFFFAOYSA-N
XLogP-0.10
TPSA134.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid (CID 106401315) is 2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid is CC(C)(CC(=O)NC(=O)NCc1ncon1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is BGGIKWFLGFRRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-10(2,8(16)17)3-7(15)13-9(18)11-4-6-12-5-19-14-6/h5H,3-4H2,1-2H3,(H,16,17)(H2,11,13,15,18).
What are the key properties of 2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid?
2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 270.24 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 106401315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).