2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid

C16H30N2O2 — CID 83198680

IUPAC2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid
SMILESCC(C)N1CCC(N2CCCC(C(C)(C)C(=O)O)C2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)17-9-7-14(11-17)18-8-5-6-13(10-18)16(3,4)15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20)
InChIKeyIAXMAQOXHXNGQT-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.29
Rot. Bonds4

About 2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid (PubChem CID 83198680) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid
PubChem CID83198680
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid
SMILESCC(C)N1CCC(N2CCCC(C(C)(C)C(=O)O)C2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)17-9-7-14(11-17)18-8-5-6-13(10-18)16(3,4)15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20)
InChIKeyIAXMAQOXHXNGQT-UHFFFAOYSA-N
XLogP2.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid
CID 83198549
2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83199295
2-[1-(1-cyanoethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197149
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
2-(1-but-3-en-2-ylpiperidin-3-yl)-2-methylpropanoic acid
CID 83198227
2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid
CID 83199298
2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 83198222
2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83199312
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207
3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
CID 65063878
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid (CID 83198680) is 2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid is CC(C)N1CCC(N2CCCC(C(C)(C)C(=O)O)C2)C1.
What is the InChIKey of 2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid?
The InChIKey is IAXMAQOXHXNGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)17-9-7-14(11-17)18-8-5-6-13(10-18)16(3,4)15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid has a molecular weight of 282.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83198680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).