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

C12H22N2O2 — CID 107141855

IUPAC2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
SMILESCC1(C)CCCN(C2(CC(=O)O)CNC2)C1
InChIInChI=1S/C12H22N2O2/c1-11(2)4-3-5-14(9-11)12(6-10(15)16)7-13-8-12/h13H,3-9H2,1-2H3,(H,15,16)
InChIKeyYOLMMMBZPSMXLW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.93
Rot. Bonds3

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

2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid (PubChem CID 107141855) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
PubChem CID107141855
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
SMILESCC1(C)CCCN(C2(CC(=O)O)CNC2)C1
InChIInChI=1S/C12H22N2O2/c1-11(2)4-3-5-14(9-11)12(6-10(15)16)7-13-8-12/h13H,3-9H2,1-2H3,(H,15,16)
InChIKeyYOLMMMBZPSMXLW-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 107141946
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-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
[1-(3,3-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661250
2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 103961374
2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141587
2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
CID 107143242
2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid
CID 107141943

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid (CID 107141855) is 2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid is CC1(C)CCCN(C2(CC(=O)O)CNC2)C1.
What is the InChIKey of 2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid?
The InChIKey is YOLMMMBZPSMXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2)4-3-5-14(9-11)12(6-10(15)16)7-13-8-12/h13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid?
2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid has a molecular weight of 226.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).