4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid

C13H24N2O2 — CID 117269973

IUPAC4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCCN1CCCC(C2CNC(C)(C(=O)O)C2)C1
InChIInChI=1S/C13H24N2O2/c1-3-15-6-4-5-10(9-15)11-7-13(2,12(16)17)14-8-11/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyBOVYNKPOAWJJAG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.17
Rot. Bonds3

About 4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid

4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 117269973) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID117269973
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCCN1CCCC(C2CNC(C)(C(=O)O)C2)C1
InChIInChI=1S/C13H24N2O2/c1-3-15-6-4-5-10(9-15)11-7-13(2,12(16)17)14-8-11/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyBOVYNKPOAWJJAG-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid (CID 117269973) is 4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid is CCN1CCCC(C2CNC(C)(C(=O)O)C2)C1.
What is the InChIKey of 4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is BOVYNKPOAWJJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-15-6-4-5-10(9-15)11-7-13(2,12(16)17)14-8-11/h10-11,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid?
4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 117269973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).