3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid

C16H28N2O3 — CID 83199346

IUPAC3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)N1CCC(CCC(=O)O)C1)C1CCCNC1
InChIInChI=1S/C16H28N2O3/c1-16(2,13-4-3-8-17-10-13)15(21)18-9-7-12(11-18)5-6-14(19)20/h12-13,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyLJQPSPMJLXZBQK-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.73
Rot. Bonds5

About 3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid

3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid (PubChem CID 83199346) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid
PubChem CID83199346
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)N1CCC(CCC(=O)O)C1)C1CCCNC1
InChIInChI=1S/C16H28N2O3/c1-16(2,13-4-3-8-17-10-13)15(21)18-9-7-12(11-18)5-6-14(19)20/h12-13,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyLJQPSPMJLXZBQK-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114797524
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 112625086
3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 120536477
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
2-[4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholin-2-yl]acetic acid
CID 83200057
2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
CID 113345683
1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83032479
2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 83200263
1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107219375
3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 83198886
1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 103884985
3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198568

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid (CID 83199346) is 3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid is CC(C)(C(=O)N1CCC(CCC(=O)O)C1)C1CCCNC1.
What is the InChIKey of 3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid?
The InChIKey is LJQPSPMJLXZBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,13-4-3-8-17-10-13)15(21)18-9-7-12(11-18)5-6-14(19)20/h12-13,17H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid?
3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid has a molecular weight of 296.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 83199346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).