(2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide

C13H26N2O2 — CID 69164831

IUPAC(2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@@]1(C)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)13(4)7-6-9-15(13)11(16)14-8-10-17-5/h6-10H2,1-5H3,(H,14,16)/t13-/m0/s1
InChIKeyPEUXRQLIOVFOEW-ZDUSSCGKSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds3

About (2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide

(2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide (PubChem CID 69164831) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide
PubChem CID69164831
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@@]1(C)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)13(4)7-6-9-15(13)11(16)14-8-10-17-5/h6-10H2,1-5H3,(H,14,16)/t13-/m0/s1
InChIKeyPEUXRQLIOVFOEW-ZDUSSCGKSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide (CID 69164831) is (2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide is COCCNC(=O)N1CCC[C@@]1(C)C(C)(C)C.
What is the InChIKey of (2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide?
The InChIKey is PEUXRQLIOVFOEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)13(4)7-6-9-15(13)11(16)14-8-10-17-5/h6-10H2,1-5H3,(H,14,16)/t13-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide?
(2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-N-(2-methoxyethyl)-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 69164831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).