ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate

C12H22N2O3 — CID 163225318

IUPACethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(CC)N1C(=O)CNC
InChIInChI=1S/C12H22N2O3/c1-4-9-6-7-10(12(16)17-5-2)14(9)11(15)8-13-3/h9-10,13H,4-8H2,1-3H3
InChIKeyNLUFFRNUSYQSTC-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

About ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate

ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate (PubChem CID 163225318) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate
PubChem CID163225318
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(CC)N1C(=O)CNC
InChIInChI=1S/C12H22N2O3/c1-4-9-6-7-10(12(16)17-5-2)14(9)11(15)8-13-3/h9-10,13H,4-8H2,1-3H3
InChIKeyNLUFFRNUSYQSTC-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)-1-(3-ethoxy-3-oxopropanoyl)pyrrolidine-2-carboxylate
CID 162684449
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
diethyl (2R,5S)-1-methylpyrrolidine-2,5-dicarboxylate
CID 13279466
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
1-O-tert-butyl 2-O-ethyl 5-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 66750521
1-O-tert-butyl 2-O-ethyl (2R,5R)-5-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 59828299
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
1-O-tert-butyl 2-O-ethyl (2R,5S)-5-hydroxypyrrolidine-1,2-dicarboxylate
CID 95654543
ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate
CID 12515616
1-O-tert-butyl 2-O-ethyl (2S)-5-hydroxypyrrolidine-1,2-dicarboxylate
CID 10801244
1-O-tert-butyl 2-O-ethyl (2R,5R)-5-methylpyrrolidine-1,2-dicarboxylate
CID 124561971
1-O-tert-butyl 2-O-ethyl 5-sulfanylpyrrolidine-1,2-dicarboxylate
CID 150368389

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate (CID 163225318) is ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCC(CC)N1C(=O)CNC.
What is the InChIKey of ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is NLUFFRNUSYQSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-9-6-7-10(12(16)17-5-2)14(9)11(15)8-13-3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate?
ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 163225318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).