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

C15H24N2O3 — CID 62011317

IUPACethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-3-20-15(19)13-9-6-10-17(13)11-14(18)16(2)12-7-4-5-8-12/h7,13H,3-6,8-11H2,1-2H3
InChIKeyXUNFVZMXQNAFRZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.54
Rot. Bonds5

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

ethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 62011317) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID62011317
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-3-20-15(19)13-9-6-10-17(13)11-14(18)16(2)12-7-4-5-8-12/h7,13H,3-6,8-11H2,1-2H3
InChIKeyXUNFVZMXQNAFRZ-UHFFFAOYSA-N
XLogP1.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate (CID 62011317) is ethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CC(=O)N(C)C1=CCCC1.
What is the InChIKey of ethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is XUNFVZMXQNAFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-20-15(19)13-9-6-10-17(13)11-14(18)16(2)12-7-4-5-8-12/h7,13H,3-6,8-11H2,1-2H3.
What are the key properties of ethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
ethyl 1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.54, 5 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(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62011317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).