3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid

C16H28N2O3 — CID 83198886

IUPAC3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C(C)(C)C2CCCNC2)C1
InChIInChI=1S/C16H28N2O3/c1-4-16(14(20)21)7-9-18(11-16)13(19)15(2,3)12-6-5-8-17-10-12/h12,17H,4-11H2,1-3H3,(H,20,21)
InChIKeyGOIZHEIARTVBDZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.73
Rot. Bonds4

About 3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 83198886) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID83198886
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C(C)(C)C2CCCNC2)C1
InChIInChI=1S/C16H28N2O3/c1-4-16(14(20)21)7-9-18(11-16)13(19)15(2,3)12-6-5-8-17-10-12/h12,17H,4-11H2,1-3H3,(H,20,21)
InChIKeyGOIZHEIARTVBDZ-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid (CID 83198886) is 3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C(C)(C)C2CCCNC2)C1.
What is the InChIKey of 3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GOIZHEIARTVBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-16(14(20)21)7-9-18(11-16)13(19)15(2,3)12-6-5-8-17-10-12/h12,17H,4-11H2,1-3H3,(H,20,21).
What are the key properties of 3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83198886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).