(5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one

C14H28N2O2 — CID 26326282

IUPAC(5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one
SMILESCOCCNCC[C@H]1CCC(=O)N1CCC(C)C
InChIInChI=1S/C14H28N2O2/c1-12(2)7-10-16-13(4-5-14(16)17)6-8-15-9-11-18-3/h12-13,15H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyAJJUPKDVXIWFEI-CYBMUJFWSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds9

About (5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one

(5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one (PubChem CID 26326282) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one
PubChem CID26326282
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one
SMILESCOCCNCC[C@H]1CCC(=O)N1CCC(C)C
InChIInChI=1S/C14H28N2O2/c1-12(2)7-10-16-13(4-5-14(16)17)6-8-15-9-11-18-3/h12-13,15H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyAJJUPKDVXIWFEI-CYBMUJFWSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one (CID 26326282) is (5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one is COCCNCC[C@H]1CCC(=O)N1CCC(C)C.
What is the InChIKey of (5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one?
The InChIKey is AJJUPKDVXIWFEI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)7-10-16-13(4-5-14(16)17)6-8-15-9-11-18-3/h12-13,15H,4-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one?
(5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one has a molecular weight of 256.39 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 26326282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).