(2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid

C12H22N2O2 — CID 66942097

IUPAC(2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid
SMILESCC[C@]1(C(=O)O)CCCN1C1CCNCC1
InChIInChI=1S/C12H22N2O2/c1-2-12(11(15)16)6-3-9-14(12)10-4-7-13-8-5-10/h10,13H,2-9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyUMCSEEXEXACAFI-GFCCVEGCSA-N
MW226.32 g/mol
LogP1.07
Rot. Bonds3

About (2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid

(2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid (PubChem CID 66942097) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid
PubChem CID66942097
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid
SMILESCC[C@]1(C(=O)O)CCCN1C1CCNCC1
InChIInChI=1S/C12H22N2O2/c1-2-12(11(15)16)6-3-9-14(12)10-4-7-13-8-5-10/h10,13H,2-9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyUMCSEEXEXACAFI-GFCCVEGCSA-N
XLogP1.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid (CID 66942097) is (2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid is CC[C@]1(C(=O)O)CCCN1C1CCNCC1.
What is the InChIKey of (2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid?
The InChIKey is UMCSEEXEXACAFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-12(11(15)16)6-3-9-14(12)10-4-7-13-8-5-10/h10,13H,2-9H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid?
(2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1-piperidin-4-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66942097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).