1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one

C13H26N2O2 — CID 114228631

IUPAC1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCOC(C)(C)C(N)CN1CC(C(C)C)CC1=O
InChIInChI=1S/C13H26N2O2/c1-9(2)10-6-12(16)15(7-10)8-11(14)13(3,4)17-5/h9-11H,6-8,14H2,1-5H3
InChIKeyYOWRPJIWDWZYQZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.24
Rot. Bonds5

About 1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one

1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one (PubChem CID 114228631) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one
PubChem CID114228631
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCOC(C)(C)C(N)CN1CC(C(C)C)CC1=O
InChIInChI=1S/C13H26N2O2/c1-9(2)10-6-12(16)15(7-10)8-11(14)13(3,4)17-5/h9-11H,6-8,14H2,1-5H3
InChIKeyYOWRPJIWDWZYQZ-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-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-(3-bromo-2,2-dimethylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511296
1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511458
1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511443
2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511188
1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one
CID 113421062
1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511279
1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511467
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 107523061

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one (CID 114228631) is 1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one is COC(C)(C)C(N)CN1CC(C(C)C)CC1=O.
What is the InChIKey of 1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is YOWRPJIWDWZYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)10-6-12(16)15(7-10)8-11(14)13(3,4)17-5/h9-11H,6-8,14H2,1-5H3.
What are the key properties of 1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one?
1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-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-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 114228631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).