1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid

C14H21N3O4 — CID 114557630

IUPAC1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCCn1nccc1C1C(C(=O)O)CC(=O)N1CCOC
InChIInChI=1S/C14H21N3O4/c1-3-6-17-11(4-5-15-17)13-10(14(19)20)9-12(18)16(13)7-8-21-2/h4-5,10,13H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyYZTWEAQSIDKPME-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.91
Rot. Bonds7

About 1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid

1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 114557630) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID114557630
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCCn1nccc1C1C(C(=O)O)CC(=O)N1CCOC
InChIInChI=1S/C14H21N3O4/c1-3-6-17-11(4-5-15-17)13-10(14(19)20)9-12(18)16(13)7-8-21-2/h4-5,10,13H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyYZTWEAQSIDKPME-UHFFFAOYSA-N
XLogP0.91
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.91
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-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid (CID 114557630) is 1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid is CCCn1nccc1C1C(C(=O)O)CC(=O)N1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is YZTWEAQSIDKPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-6-17-11(4-5-15-17)13-10(14(19)20)9-12(18)16(13)7-8-21-2/h4-5,10,13H,3,6-9H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 0.91, 7 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-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114557630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).