2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid

C13H22N2O3 — CID 83197354

IUPAC2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)C2CNC2)C1
InChIInChI=1S/C13H22N2O3/c1-13(2,12(17)18)10-4-3-5-15(8-10)11(16)9-6-14-7-9/h9-10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyUYDGLTMAOPDVFQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.56
Rot. Bonds3

About 2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid

2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83197354) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83197354
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)C2CNC2)C1
InChIInChI=1S/C13H22N2O3/c1-13(2,12(17)18)10-4-3-5-15(8-10)11(16)9-6-14-7-9/h9-10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyUYDGLTMAOPDVFQ-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198528
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone
CID 129495393
2-methyl-2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83197741
2-[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197641
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 75517092
2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid
CID 83199263
2-methyl-2-[1-(2-methylpyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197993
2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197298
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94916279
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83197354) is 2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCCN(C(=O)C2CNC2)C1.
What is the InChIKey of 2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is UYDGLTMAOPDVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,12(17)18)10-4-3-5-15(8-10)11(16)9-6-14-7-9/h9-10,14H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83197354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).