1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one

C14H25N3O3 — CID 106617590

IUPAC1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one
SMILESCOCCN(CC(=O)N1CCCC1=O)CC1CCCN1
InChIInChI=1S/C14H25N3O3/c1-20-9-8-16(10-12-4-2-6-15-12)11-14(19)17-7-3-5-13(17)18/h12,15H,2-11H2,1H3
InChIKeyUIJAHTUPOKSLGA-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.16
Rot. Bonds7

About 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one

1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one (PubChem CID 106617590) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one
PubChem CID106617590
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one
SMILESCOCCN(CC(=O)N1CCCC1=O)CC1CCCN1
InChIInChI=1S/C14H25N3O3/c1-20-9-8-16(10-12-4-2-6-15-12)11-14(19)17-7-3-5-13(17)18/h12,15H,2-11H2,1H3
InChIKeyUIJAHTUPOKSLGA-UHFFFAOYSA-N
XLogP-0.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one (CID 106617590) is 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one is COCCN(CC(=O)N1CCCC1=O)CC1CCCN1.
What is the InChIKey of 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one?
The InChIKey is UIJAHTUPOKSLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-20-9-8-16(10-12-4-2-6-15-12)11-14(19)17-7-3-5-13(17)18/h12,15H,2-11H2,1H3.
What are the key properties of 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one?
1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one has a molecular weight of 283.37 g/mol, XLogP of -0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 106617590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).