4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid

C14H26N2O2 — CID 55226113

IUPAC4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(CCC2CCCCN2C)CC1C(=O)O
InChIInChI=1S/C14H26N2O2/c1-11-9-16(10-13(11)14(17)18)8-6-12-5-3-4-7-15(12)2/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyCHJKEYCEIWLWRK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.51
Rot. Bonds4

About 4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 55226113) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID55226113
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(CCC2CCCCN2C)CC1C(=O)O
InChIInChI=1S/C14H26N2O2/c1-11-9-16(10-13(11)14(17)18)8-6-12-5-3-4-7-15(12)2/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyCHJKEYCEIWLWRK-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 55226113) is 4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid is CC1CN(CCC2CCCCN2C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CHJKEYCEIWLWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-9-16(10-13(11)14(17)18)8-6-12-5-3-4-7-15(12)2/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55226113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).