2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid

C13H24N2O2 — CID 116684717

IUPAC2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C2CCN(C)C(C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-9-6-12(4-5-14(9)3)15-7-11(8-15)10(2)13(16)17/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyBLMXNLKKFZDVCC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.12
Rot. Bonds3

About 2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid

2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid (PubChem CID 116684717) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid
PubChem CID116684717
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C2CCN(C)C(C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-9-6-12(4-5-14(9)3)15-7-11(8-15)10(2)13(16)17/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyBLMXNLKKFZDVCC-UHFFFAOYSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]propanoic acid
CID 116684656
2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid
CID 116684571
2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid
CID 116684450
2-[1-(thian-3-yl)azetidin-3-yl]propanoic acid
CID 116684600
2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116683450
2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102660077
2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid
CID 116684623
2-[1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-yl]propanoic acid
CID 105366228
2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid
CID 116684067
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
(2S)-2-[(1,2-dimethylpiperidin-4-yl)carbamoylamino]pentanoic acid
CID 107567367
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid (CID 116684717) is 2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C2CCN(C)C(C)C2)C1.
What is the InChIKey of 2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid?
The InChIKey is BLMXNLKKFZDVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-6-12(4-5-14(9)3)15-7-11(8-15)10(2)13(16)17/h9-12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid?
2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid has a molecular weight of 240.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).