2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid

C11H20N2O2 — CID 83835259

IUPAC2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CC(N2CCCCC2)C1
InChIInChI=1S/C11H20N2O2/c1-9(11(14)15)13-7-10(8-13)12-5-3-2-4-6-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyLJMJWGHDSYICGK-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.63
Rot. Bonds3

About 2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid

2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid (PubChem CID 83835259) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid
PubChem CID83835259
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CC(N2CCCCC2)C1
InChIInChI=1S/C11H20N2O2/c1-9(11(14)15)13-7-10(8-13)12-5-3-2-4-6-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyLJMJWGHDSYICGK-UHFFFAOYSA-N
XLogP0.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
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2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]propanoic acid
CID 131057852
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
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2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170614
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
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2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid
CID 114820667
2-(3,6-diazabicyclo[3.1.1]heptan-3-yl)propanoic acid
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CID 103535229

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid?
The IUPAC name of 2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid (CID 83835259) is 2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid is CC(C(=O)O)N1CC(N2CCCCC2)C1.
What is the InChIKey of 2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid?
The InChIKey is LJMJWGHDSYICGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(11(14)15)13-7-10(8-13)12-5-3-2-4-6-12/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid?
2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid has a molecular weight of 212.29 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid is sourced from PubChem (CID 83835259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).