2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 83070510

IUPAC2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1COCC1NC
InChIInChI=1S/C13H22N2O4/c1-3-13(12(17)18)5-4-6-15(13)11(16)9-7-19-8-10(9)14-2/h9-10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyLZIURCYJIAADTE-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.08
Rot. Bonds4

About 2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 83070510) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID83070510
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)C1COCC1NC
InChIInChI=1S/C13H22N2O4/c1-3-13(12(17)18)5-4-6-15(13)11(16)9-7-19-8-10(9)14-2/h9-10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyLZIURCYJIAADTE-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 83070510) is 2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)C1COCC1NC.
What is the InChIKey of 2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LZIURCYJIAADTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-13(12(17)18)5-4-6-15(13)11(16)9-7-19-8-10(9)14-2/h9-10,14H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).