1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one

C13H26N2O2 — CID 104511049

IUPAC1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one
SMILESCCOC(CN)CN1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C13H26N2O2/c1-5-17-11(7-14)9-15-8-10(6-12(15)16)13(2,3)4/h10-11H,5-9,14H2,1-4H3
InChIKeyLJZUSJSGPAFTAJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.24
Rot. Bonds5

About 1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one

1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one (PubChem CID 104511049) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one
PubChem CID104511049
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one
SMILESCCOC(CN)CN1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C13H26N2O2/c1-5-17-11(7-14)9-15-8-10(6-12(15)16)13(2,3)4/h10-11H,5-9,14H2,1-4H3
InChIKeyLJZUSJSGPAFTAJ-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one
CID 104511575
1-(3-bromo-2-methylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511319
ethyl 4-(4-tert-butyl-2-oxopyrrolidin-1-yl)-3-oxobutanoate
CID 104512278
2-(3-amino-2-ethoxypropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79941152
1-(3-bromo-2-phenylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511323
1-[2-(bromomethyl)-2-ethylbutyl]-4-tert-butylpyrrolidin-2-one
CID 104511311
4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one
CID 107507877
3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 104512871
4-(bromomethyl)-1-(2,2-diethoxyethyl)pyrrolidin-2-one
CID 168503820
4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one
CID 104512641
5-tert-butyl-1-(2-methylpropyl)piperidin-2-one
CID 139951314

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one?
The IUPAC name of 1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one (CID 104511049) is 1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one is CCOC(CN)CN1CC(C(C)(C)C)CC1=O.
What is the InChIKey of 1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one?
The InChIKey is LJZUSJSGPAFTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-17-11(7-14)9-15-8-10(6-12(15)16)13(2,3)4/h10-11H,5-9,14H2,1-4H3.
What are the key properties of 1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one?
1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one has a molecular weight of 242.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-ethoxypropyl)-4-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 104511049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).