ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate

C16H26N2O3 — CID 78979240

IUPACethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)N(CC)C1=CCCC1
InChIInChI=1S/C16H26N2O3/c1-3-18(13-8-5-6-9-13)15(19)12-17-11-7-10-14(17)16(20)21-4-2/h8,14H,3-7,9-12H2,1-2H3
InChIKeyOWIXGQAZBYIIQK-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.93
Rot. Bonds6

About ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate

ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 78979240) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID78979240
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nameethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)N(CC)C1=CCCC1
InChIInChI=1S/C16H26N2O3/c1-3-18(13-8-5-6-9-13)15(19)12-17-11-7-10-14(17)16(20)21-4-2/h8,14H,3-7,9-12H2,1-2H3
InChIKeyOWIXGQAZBYIIQK-UHFFFAOYSA-N
XLogP1.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate 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 ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate (CID 78979240) is ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CC(=O)N(CC)C1=CCCC1.
What is the InChIKey of ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is OWIXGQAZBYIIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-18(13-8-5-6-9-13)15(19)12-17-11-7-10-14(17)16(20)21-4-2/h8,14H,3-7,9-12H2,1-2H3.
What are the key properties of ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 78979240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).