1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid

C14H21N3O4 — CID 63379737

IUPAC1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)CC(C(=O)O)C1c1c(C)nn(C)c1C
InChIInChI=1S/C14H21N3O4/c1-8-12(9(2)16(3)15-8)13-10(14(19)20)7-11(18)17(13)5-6-21-4/h10,13H,5-7H2,1-4H3,(H,19,20)
InChIKeyDOWUJLQTCVOJCA-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.66
Rot. Bonds5

About 1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid

1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63379737) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID63379737
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)CC(C(=O)O)C1c1c(C)nn(C)c1C
InChIInChI=1S/C14H21N3O4/c1-8-12(9(2)16(3)15-8)13-10(14(19)20)7-11(18)17(13)5-6-21-4/h10,13H,5-7H2,1-4H3,(H,19,20)
InChIKeyDOWUJLQTCVOJCA-UHFFFAOYSA-N
XLogP0.66
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid (CID 63379737) is 1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid is COCCN1C(=O)CC(C(=O)O)C1c1c(C)nn(C)c1C.
What is the InChIKey of 1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is DOWUJLQTCVOJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-8-12(9(2)16(3)15-8)13-10(14(19)20)7-11(18)17(13)5-6-21-4/h10,13H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63379737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).