1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C13H24N2O3 — CID 23103458

IUPAC1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCCCN(CC)C(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-5-7-15(4-2)12(16)10-14-8-6-11(9-14)13(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyIJUVDUOUTOZRPX-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.04
Rot. Bonds7

About 1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 23103458) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID23103458
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCCCN(CC)C(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-5-7-15(4-2)12(16)10-14-8-6-11(9-14)13(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyIJUVDUOUTOZRPX-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-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 1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 23103458) is 1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is CCCCN(CC)C(=O)CN1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IJUVDUOUTOZRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-5-7-15(4-2)12(16)10-14-8-6-11(9-14)13(17)18/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 23103458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).