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

C13H21N3O3 — CID 115077232

IUPAC3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid
SMILESCC(C)N1CCC(c2nc(CCC(=O)O)no2)CC1
InChIInChI=1S/C13H21N3O3/c1-9(2)16-7-5-10(6-8-16)13-14-11(15-19-13)3-4-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyANOLNXYYIZHBHJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.67
Rot. Bonds5

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

3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid (PubChem CID 115077232) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid
PubChem CID115077232
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid
SMILESCC(C)N1CCC(c2nc(CCC(=O)O)no2)CC1
InChIInChI=1S/C13H21N3O3/c1-9(2)16-7-5-10(6-8-16)13-14-11(15-19-13)3-4-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyANOLNXYYIZHBHJ-UHFFFAOYSA-N
XLogP1.67
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115077226
3-[5-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115048591
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087902
3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081706
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
2-[5-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115077063
3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 115081859
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231
(2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104876160
3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903801
3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984688
3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 61495057

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The IUPAC name of 3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid (CID 115077232) is 3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid is CC(C)N1CCC(c2nc(CCC(=O)O)no2)CC1.
What is the InChIKey of 3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid?
The InChIKey is ANOLNXYYIZHBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)16-7-5-10(6-8-16)13-14-11(15-19-13)3-4-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid?
3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid is sourced from PubChem (CID 115077232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).