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

C10H14N4O5 — CID 63876604

IUPAC2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESNc1nonc1C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H14N4O5/c11-9-8(12-19-13-9)10(17)14-3-1-6(2-4-14)18-5-7(15)16/h6H,1-5H2,(H2,11,13)(H,15,16)
InChIKeyRUJMLCDYPPNTFP-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.64
Rot. Bonds4

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

2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63876604) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID63876604
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESNc1nonc1C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H14N4O5/c11-9-8(12-19-13-9)10(17)14-3-1-6(2-4-14)18-5-7(15)16/h6H,1-5H2,(H2,11,13)(H,15,16)
InChIKeyRUJMLCDYPPNTFP-UHFFFAOYSA-N
XLogP-0.64
TPSA131.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid (CID 63876604) is 2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid is Nc1nonc1C(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is RUJMLCDYPPNTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c11-9-8(12-19-13-9)10(17)14-3-1-6(2-4-14)18-5-7(15)16/h6H,1-5H2,(H2,11,13)(H,15,16).
What are the key properties of 2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 270.24 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63876604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).