2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid

C13H22N2O2 — CID 105366228

IUPAC2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C2CCN3CCC2C3)C1
InChIInChI=1S/C13H22N2O2/c1-9(13(16)17)11-7-15(8-11)12-3-5-14-4-2-10(12)6-14/h9-12H,2-8H2,1H3,(H,16,17)
InChIKeyNRSRZMBNIGZDSS-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.73
Rot. Bonds3

About 2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid

2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid (PubChem CID 105366228) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid
PubChem CID105366228
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C2CCN3CCC2C3)C1
InChIInChI=1S/C13H22N2O2/c1-9(13(16)17)11-7-15(8-11)12-3-5-14-4-2-10(12)6-14/h9-12H,2-8H2,1H3,(H,16,17)
InChIKeyNRSRZMBNIGZDSS-UHFFFAOYSA-N
XLogP0.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid
CID 116684067
2-[1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682817
1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-amine
CID 105365579
2-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]propanoic acid
CID 65062890
2-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]propanoic acid
CID 116684656
2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid
CID 116684450
2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid
CID 116684717
2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid
CID 116684571
(2S)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-hydroxybutanoic acid
CID 163629612
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine
CID 103975547
2-[1-(thian-3-yl)azetidin-3-yl]propanoic acid
CID 116684600

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid (CID 105366228) is 2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C2CCN3CCC2C3)C1.
What is the InChIKey of 2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid?
The InChIKey is NRSRZMBNIGZDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(13(16)17)11-7-15(8-11)12-3-5-14-4-2-10(12)6-14/h9-12H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid?
2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid has a molecular weight of 238.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 105366228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).