3-(azetidin-1-yl)oxolane-3-carboxylic acid

C8H13NO3 — CID 84765930

IUPAC3-(azetidin-1-yl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(N2CCC2)CCOC1
InChIInChI=1S/C8H13NO3/c10-7(11)8(2-5-12-6-8)9-3-1-4-9/h1-6H2,(H,10,11)
InChIKeyAHNJUCNLEYPETR-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.06
Rot. Bonds2

About 3-(azetidin-1-yl)oxolane-3-carboxylic acid

3-(azetidin-1-yl)oxolane-3-carboxylic acid (PubChem CID 84765930) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(azetidin-1-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(azetidin-1-yl)oxolane-3-carboxylic acid
PubChem CID84765930
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-(azetidin-1-yl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(N2CCC2)CCOC1
InChIInChI=1S/C8H13NO3/c10-7(11)8(2-5-12-6-8)9-3-1-4-9/h1-6H2,(H,10,11)
InChIKeyAHNJUCNLEYPETR-UHFFFAOYSA-N
XLogP-0.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-1-yloxetane-3-carboxylic acid
CID 105441554
4-(4-methyl-1,4-diazepan-1-yl)oxane-4-carboxylic acid
CID 114991651
3-(3-propylazetidin-1-yl)oxolane-3-carboxylic acid
CID 79695639
3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid
CID 154796437
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433
1-(3,3-dimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 82235402
3-piperazin-1-yloxolane-3-carboxamide;dihydrochloride
CID 134691013
8-morpholin-4-ylspiro[4.5]decane-8-carboxylic acid
CID 114819765
3-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]oxolane-3-carboxylic acid
CID 154801150
3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid
CID 105434455
3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid
CID 84765781
3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid
CID 84795983

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(azetidin-1-yl)oxolane-3-carboxylic acid (CID 84765930) is 3-(azetidin-1-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(azetidin-1-yl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(azetidin-1-yl)oxolane-3-carboxylic acid is O=C(O)C1(N2CCC2)CCOC1.
What is the InChIKey of 3-(azetidin-1-yl)oxolane-3-carboxylic acid?
The InChIKey is AHNJUCNLEYPETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7(11)8(2-5-12-6-8)9-3-1-4-9/h1-6H2,(H,10,11).
What are the key properties of 3-(azetidin-1-yl)oxolane-3-carboxylic acid?
3-(azetidin-1-yl)oxolane-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 84765930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).