3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid

C13H20N2O3 — CID 107181461

IUPAC3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(CC(=O)O)Cc1nnc(C2CCCC2C)o1
InChIInChI=1S/C13H20N2O3/c1-8(7-12(16)17)6-11-14-15-13(18-11)10-5-3-4-9(10)2/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyWHYOTLHZGNUHIB-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.63
Rot. Bonds5

About 3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid

3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 107181461) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID107181461
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(CC(=O)O)Cc1nnc(C2CCCC2C)o1
InChIInChI=1S/C13H20N2O3/c1-8(7-12(16)17)6-11-14-15-13(18-11)10-5-3-4-9(10)2/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyWHYOTLHZGNUHIB-UHFFFAOYSA-N
XLogP2.63
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 107181461) is 3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid is CC(CC(=O)O)Cc1nnc(C2CCCC2C)o1.
What is the InChIKey of 3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is WHYOTLHZGNUHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(7-12(16)17)6-11-14-15-13(18-11)10-5-3-4-9(10)2/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 107181461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).