2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid

C11H17N3O4 — CID 115429755

IUPAC2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1noc(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-4-11(5-2,10(16)17)6-12-9(15)8-13-7(3)18-14-8/h4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyHBWWXNFDPOWDJT-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.00
Rot. Bonds6

About 2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid

2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid (PubChem CID 115429755) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid
PubChem CID115429755
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1noc(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-4-11(5-2,10(16)17)6-12-9(15)8-13-7(3)18-14-8/h4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyHBWWXNFDPOWDJT-UHFFFAOYSA-N
XLogP1.00
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid with MolForge

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Related Compounds

2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107832050
2-ethyl-2-[(isoquinoline-1-carbonylamino)methyl]butanoic acid
CID 120533419
2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid
CID 97337597
4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
CID 82684064
1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65452844
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 104669910
2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
CID 113308420
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one
CID 142391615
2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
CID 43471079
bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
2-[[(6-chloropyridine-2-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308451
2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid
CID 65284802

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid (CID 115429755) is 2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)c1noc(C)n1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid?
The InChIKey is HBWWXNFDPOWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-11(5-2,10(16)17)6-12-9(15)8-13-7(3)18-14-8/h4-6H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid has a molecular weight of 255.27 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 115429755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).