2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid

C11H18N2O3 — CID 107141899

IUPAC2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CC3CCC(C2)O3)CNC1
InChIInChI=1S/C11H18N2O3/c14-10(15)3-11(6-12-7-11)13-4-8-1-2-9(5-13)16-8/h8-9,12H,1-7H2,(H,14,15)
InChIKeyGNKXUPJKAXUVPF-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.33
Rot. Bonds3

About 2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid

2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid (PubChem CID 107141899) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
PubChem CID107141899
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CC3CCC(C2)O3)CNC1
InChIInChI=1S/C11H18N2O3/c14-10(15)3-11(6-12-7-11)13-4-8-1-2-9(5-13)16-8/h8-9,12H,1-7H2,(H,14,15)
InChIKeyGNKXUPJKAXUVPF-UHFFFAOYSA-N
XLogP-0.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
CID 107143242
2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
CID 107141762
2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)azetidin-3-yl]acetic acid
CID 107141922
2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid
CID 107141943
2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141882
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141587
2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107143244
2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141887
2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
CID 107141865

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid (CID 107141899) is 2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid is O=C(O)CC1(N2CC3CCC(C2)O3)CNC1.
What is the InChIKey of 2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid?
The InChIKey is GNKXUPJKAXUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(15)3-11(6-12-7-11)13-4-8-1-2-9(5-13)16-8/h8-9,12H,1-7H2,(H,14,15).
What are the key properties of 2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid?
2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid has a molecular weight of 226.28 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).