2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid

C6H10N2O3 — CID 174834177

IUPAC2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)N1C=CON1
InChIInChI=1S/C6H10N2O3/c1-6(2,5(9)10)8-3-4-11-7-8/h3-4,7H,1-2H3,(H,9,10)
InChIKeyJMUJRBYKYILEKA-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.07
Rot. Bonds2

About 2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid

2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid (PubChem CID 174834177) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid
PubChem CID174834177
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)N1C=CON1
InChIInChI=1S/C6H10N2O3/c1-6(2,5(9)10)8-3-4-11-7-8/h3-4,7H,1-2H3,(H,9,10)
InChIKeyJMUJRBYKYILEKA-UHFFFAOYSA-N
XLogP0.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid (CID 174834177) is 2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid is CC(C)(C(=O)O)N1C=CON1.
What is the InChIKey of 2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid?
The InChIKey is JMUJRBYKYILEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-6(2,5(9)10)8-3-4-11-7-8/h3-4,7H,1-2H3,(H,9,10).
What are the key properties of 2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid?
2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid has a molecular weight of 158.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2H-oxadiazol-3-yl)propanoic acid is sourced from PubChem (CID 174834177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).