4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one

C11H22N2O4 — CID 114155915

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one
SMILESCOCCOCCOCCNC1CNC(=O)C1
InChIInChI=1S/C11H22N2O4/c1-15-4-5-17-7-6-16-3-2-12-10-8-11(14)13-9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyAIFSJRKQPXDDTA-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.86
Rot. Bonds10

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one

4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one (PubChem CID 114155915) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one
PubChem CID114155915
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one
SMILESCOCCOCCOCCNC1CNC(=O)C1
InChIInChI=1S/C11H22N2O4/c1-15-4-5-17-7-6-16-3-2-12-10-8-11(14)13-9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyAIFSJRKQPXDDTA-UHFFFAOYSA-N
XLogP-0.86
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-amine
CID 79741587
4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one
CID 106182603
1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea
CID 106186241
4-(2-cyclopropylethylamino)pyrrolidin-2-one
CID 106189081
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
1-(3-methoxypropyl)-3-(5-oxopyrrolidin-3-yl)thiourea
CID 106186223
N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-5-amine
CID 70234735
methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
CID 95984956
4-(prop-2-ynylamino)pyrrolidin-2-one
CID 106184297
N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
CID 112728621

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one (CID 114155915) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one is COCCOCCOCCNC1CNC(=O)C1.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one?
The InChIKey is AIFSJRKQPXDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-15-4-5-17-7-6-16-3-2-12-10-8-11(14)13-9-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of -0.86, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one is sourced from PubChem (CID 114155915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).