2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid

C7H10N2O3 — CID 82125128

IUPAC2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCc1nnc(CC(C)C(=O)O)o1
InChIInChI=1S/C7H10N2O3/c1-4(7(10)11)3-6-9-8-5(2)12-6/h4H,3H2,1-2H3,(H,10,11)
InChIKeyZYTMMUQFISTBQF-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.64
Rot. Bonds3

About 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid

2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (PubChem CID 82125128) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
PubChem CID82125128
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCc1nnc(CC(C)C(=O)O)o1
InChIInChI=1S/C7H10N2O3/c1-4(7(10)11)3-6-9-8-5(2)12-6/h4H,3H2,1-2H3,(H,10,11)
InChIKeyZYTMMUQFISTBQF-UHFFFAOYSA-N
XLogP0.64
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (CID 82125128) is 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid is Cc1nnc(CC(C)C(=O)O)o1.
What is the InChIKey of 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The InChIKey is ZYTMMUQFISTBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4(7(10)11)3-6-9-8-5(2)12-6/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid is sourced from PubChem (CID 82125128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).