2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid

C14H25N3O4 — CID 102659924

IUPAC2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCN(C)C(=O)N1CCC(N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O4/c1-14(21-8-12(18)19)9-17(10-14)11-4-6-16(7-5-11)13(20)15(2)3/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyLHSRGBDUHGBDQW-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.31
Rot. Bonds4

About 2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659924) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659924
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCN(C)C(=O)N1CCC(N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O4/c1-14(21-8-12(18)19)9-17(10-14)11-4-6-16(7-5-11)13(20)15(2)3/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyLHSRGBDUHGBDQW-UHFFFAOYSA-N
XLogP0.31
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-cyclopropylpyrrolidin-3-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659879
2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid
CID 102659757
2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid
CID 102660136
2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102660077
2-[3-methyl-1-(3-methylcyclopentyl)azetidin-3-yl]oxyacetic acid
CID 102659987
2-[1-(4-ethylcycloheptyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659847
2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658695
2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658660
N,N-dimethyl-4-[4-methyl-4-(methylamino)piperidin-1-yl]piperidine-1-carboxamide
CID 83261821
2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659906
2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658652
2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657218

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102659924) is 2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid is CN(C)C(=O)N1CCC(N2CC(C)(OCC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is LHSRGBDUHGBDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(21-8-12(18)19)9-17(10-14)11-4-6-16(7-5-11)13(20)15(2)3/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).