1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one

C13H24N2O — CID 104511575

IUPAC1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CC(N)C2CC2)C1
InChIInChI=1S/C13H24N2O/c1-13(2,3)10-6-12(16)15(7-10)8-11(14)9-4-5-9/h9-11H,4-8,14H2,1-3H3
InChIKeyJZDUOLDIDNLHPU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.62
Rot. Bonds3

About 1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one

1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one (PubChem CID 104511575) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one
PubChem CID104511575
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CC(N)C2CC2)C1
InChIInChI=1S/C13H24N2O/c1-13(2,3)10-6-12(16)15(7-10)8-11(14)9-4-5-9/h9-11H,4-8,14H2,1-3H3
InChIKeyJZDUOLDIDNLHPU-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
1-(3-bromo-2-methylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511319
1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one
CID 104511049
1-(3-bromo-2-phenylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511323
5-tert-butyl-1-(2-methylpropyl)piperidin-2-one
CID 139951314
1-[2-(bromomethyl)-2-ethylbutyl]-4-tert-butylpyrrolidin-2-one
CID 104511311
4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
CID 113421171
2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine
CID 104746974
3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 104512871
4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one
CID 104512641
4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one
CID 104512795
ethyl 4-(4-tert-butyl-2-oxopyrrolidin-1-yl)-3-oxobutanoate
CID 104512278

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one?
The IUPAC name of 1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one (CID 104511575) is 1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one is CC(C)(C)C1CC(=O)N(CC(N)C2CC2)C1.
What is the InChIKey of 1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one?
The InChIKey is JZDUOLDIDNLHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)10-6-12(16)15(7-10)8-11(14)9-4-5-9/h9-11H,4-8,14H2,1-3H3.
What are the key properties of 1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one?
1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 104511575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).