3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid

C12H18N2O3 — CID 65406908

IUPAC3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCCC1CCC(c2noc(CCC(=O)O)n2)C1
InChIInChI=1S/C12H18N2O3/c1-2-8-3-4-9(7-8)12-13-10(17-14-12)5-6-11(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyVQINKJXGDBZYPG-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.38
Rot. Bonds5

About 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 65406908) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID65406908
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCCC1CCC(c2noc(CCC(=O)O)n2)C1
InChIInChI=1S/C12H18N2O3/c1-2-8-3-4-9(7-8)12-13-10(17-14-12)5-6-11(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyVQINKJXGDBZYPG-UHFFFAOYSA-N
XLogP2.38
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192880
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65404122
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 103500564
1-amino-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66000793
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 65409407
2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65422885
N-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65415303
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
3-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 114215288

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 65406908) is 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid is CCC1CCC(c2noc(CCC(=O)O)n2)C1.
What is the InChIKey of 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is VQINKJXGDBZYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-8-3-4-9(7-8)12-13-10(17-14-12)5-6-11(15)16/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 65406908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).