2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid

C12H23N3O2 — CID 107141559

IUPAC2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
SMILESCN(C)C1CCN(C2(CC(=O)O)CNC2)CC1
InChIInChI=1S/C12H23N3O2/c1-14(2)10-3-5-15(6-4-10)12(7-11(16)17)8-13-9-12/h10,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyCDNBQMPJAZSNEM-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.17
Rot. Bonds4

About 2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid

2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid (PubChem CID 107141559) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
PubChem CID107141559
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
SMILESCN(C)C1CCN(C2(CC(=O)O)CNC2)CC1
InChIInChI=1S/C12H23N3O2/c1-14(2)10-3-5-15(6-4-10)12(7-11(16)17)8-13-9-12/h10,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyCDNBQMPJAZSNEM-UHFFFAOYSA-N
XLogP-0.17
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141587
2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
CID 107141865
2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
CID 107141762
2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
CID 107143242
2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
CID 107141899
2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107143244
2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141855
2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid
CID 107141497
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-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid (CID 107141559) is 2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid is CN(C)C1CCN(C2(CC(=O)O)CNC2)CC1.
What is the InChIKey of 2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid?
The InChIKey is CDNBQMPJAZSNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-14(2)10-3-5-15(6-4-10)12(7-11(16)17)8-13-9-12/h10,13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid?
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid has a molecular weight of 241.33 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).