3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid

C11H16N4O5 — CID 63875743

IUPAC3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESNc1nonc1C(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C11H16N4O5/c12-10-9(13-20-14-10)11(18)15-4-1-7(2-5-15)19-6-3-8(16)17/h7H,1-6H2,(H2,12,14)(H,16,17)
InChIKeyUCUFOLFVCCEUHH-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.25
Rot. Bonds5

About 3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid

3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63875743) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63875743
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESNc1nonc1C(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C11H16N4O5/c12-10-9(13-20-14-10)11(18)15-4-1-7(2-5-15)19-6-3-8(16)17/h7H,1-6H2,(H2,12,14)(H,16,17)
InChIKeyUCUFOLFVCCEUHH-UHFFFAOYSA-N
XLogP-0.25
TPSA131.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 106683480
3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875477
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid
CID 79022757
(4-amino-1,2,5-oxadiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107219737
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167078
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871086
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 55251756
3-[1-(2,5-dibromothiophene-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 107949209
3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride
CID 18969441

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid (CID 63875743) is 3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid is Nc1nonc1C(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is UCUFOLFVCCEUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c12-10-9(13-20-14-10)11(18)15-4-1-7(2-5-15)19-6-3-8(16)17/h7H,1-6H2,(H2,12,14)(H,16,17).
What are the key properties of 3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 284.27 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63875743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).