1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid

C12H20N2O5 — CID 55001708

IUPAC1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)CN(CC)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-3-13(8-10(15)19-4-2)12(18)14-7-5-6-9(14)11(16)17/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyXFMGUEMJNWUVTE-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.54
Rot. Bonds5

About 1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid

1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 55001708) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID55001708
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)CN(CC)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-3-13(8-10(15)19-4-2)12(18)14-7-5-6-9(14)11(16)17/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyXFMGUEMJNWUVTE-UHFFFAOYSA-N
XLogP0.54
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 55001708) is 1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid is CCOC(=O)CN(CC)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XFMGUEMJNWUVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-13(8-10(15)19-4-2)12(18)14-7-5-6-9(14)11(16)17/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 272.30 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 1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55001708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).