2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid

C12H22N2O2 — CID 107141887

IUPAC2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
SMILESCC1CCC(C)N(C2(CC(=O)O)CNC2)C1
InChIInChI=1S/C12H22N2O2/c1-9-3-4-10(2)14(6-9)12(5-11(15)16)7-13-8-12/h9-10,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyURAIAJQRKBMNFB-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.92
Rot. Bonds3

About 2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid

2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid (PubChem CID 107141887) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
PubChem CID107141887
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
SMILESCC1CCC(C)N(C2(CC(=O)O)CNC2)C1
InChIInChI=1S/C12H22N2O2/c1-9-3-4-10(2)14(6-9)12(5-11(15)16)7-13-8-12/h9-10,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyURAIAJQRKBMNFB-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
CID 107141899
2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
CID 107143242
2-[1-(2-methylazetidin-1-yl)cyclopentyl]acetic acid
CID 79694901
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)azetidin-3-yl]acetic acid
CID 107141752
2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141882
2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
CID 107141762
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107143244
2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
CID 107141865
2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)azetidin-3-yl]acetic acid
CID 107141922

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid (CID 107141887) is 2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid is CC1CCC(C)N(C2(CC(=O)O)CNC2)C1.
What is the InChIKey of 2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid?
The InChIKey is URAIAJQRKBMNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-3-4-10(2)14(6-9)12(5-11(15)16)7-13-8-12/h9-10,13H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid?
2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid has a molecular weight of 226.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).