3-piperidin-1-yloxetane-3-carboxylic acid

C9H15NO3 — CID 105441554

IUPAC3-piperidin-1-yloxetane-3-carboxylic acid
SMILESO=C(O)C1(N2CCCCC2)COC1
InChIInChI=1S/C9H15NO3/c11-8(12)9(6-13-7-9)10-4-2-1-3-5-10/h1-7H2,(H,11,12)
InChIKeyZSISOKUCDFNQAK-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.33
Rot. Bonds2

About 3-piperidin-1-yloxetane-3-carboxylic acid

3-piperidin-1-yloxetane-3-carboxylic acid (PubChem CID 105441554) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-piperidin-1-yloxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-piperidin-1-yloxetane-3-carboxylic acid
PubChem CID105441554
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-piperidin-1-yloxetane-3-carboxylic acid
SMILESO=C(O)C1(N2CCCCC2)COC1
InChIInChI=1S/C9H15NO3/c11-8(12)9(6-13-7-9)10-4-2-1-3-5-10/h1-7H2,(H,11,12)
InChIKeyZSISOKUCDFNQAK-UHFFFAOYSA-N
XLogP0.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
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3-(azocan-1-yl)thiolane-3-carboxylic acid
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3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid
CID 105434455
1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid
CID 81468659
4-(4-methyl-1,4-diazepan-1-yl)oxane-4-carboxylic acid
CID 114991651
8-morpholin-4-ylspiro[4.5]decane-8-carboxylic acid
CID 114819765
1-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 114994908
1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
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1-piperidin-1-ylcyclobutane-1-carboxamide
CID 175176421

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yloxetane-3-carboxylic acid?
The IUPAC name of 3-piperidin-1-yloxetane-3-carboxylic acid (CID 105441554) is 3-piperidin-1-yloxetane-3-carboxylic acid.
What is the SMILES notation for 3-piperidin-1-yloxetane-3-carboxylic acid?
The canonical SMILES for 3-piperidin-1-yloxetane-3-carboxylic acid is O=C(O)C1(N2CCCCC2)COC1.
What is the InChIKey of 3-piperidin-1-yloxetane-3-carboxylic acid?
The InChIKey is ZSISOKUCDFNQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(12)9(6-13-7-9)10-4-2-1-3-5-10/h1-7H2,(H,11,12).
What are the key properties of 3-piperidin-1-yloxetane-3-carboxylic acid?
3-piperidin-1-yloxetane-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yloxetane-3-carboxylic acid is sourced from PubChem (CID 105441554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).