1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one

C11H22N2O2 — CID 3075727

IUPAC1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one
SMILESCC(C)(C)NCC(O)CN1CCCC1=O
InChIInChI=1S/C11H22N2O2/c1-11(2,3)12-7-9(14)8-13-6-4-5-10(13)15/h9,12,14H,4-8H2,1-3H3
InChIKeyYKKZZLHOGQVAGK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds4

About 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one

1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 3075727) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID3075727
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one
SMILESCC(C)(C)NCC(O)CN1CCCC1=O
InChIInChI=1S/C11H22N2O2/c1-11(2,3)12-7-9(14)8-13-6-4-5-10(13)15/h9,12,14H,4-8H2,1-3H3
InChIKeyYKKZZLHOGQVAGK-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Amino-2-hydroxypropyl)-2-pyrrolidinone
CID 16795444
1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
CID 28408742
1-{3-[(3,3,3-Trifluoro-2-hydroxypropyl)amino]propyl}pyrrolidin-2-one
CID 126846996
1-[3-(2,3-Dihydroxypropylamino)propyl]pyrrolidin-2-one
CID 3340970
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one
CID 3075725
N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide
CID 20678198
Bis(2-aminoethanol);1-methylpyrrolidin-2-one
CID 21281705
1-[3-[Di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 22958923
[3-(2,2-Dimethylbutanoylamino)-2-hydroxypropyl]-trimethylazanium
CID 22964793
[2-Hydroxy-3-(2-methylbutanoylamino)propyl]-trimethylazanium
CID 23539959
1-[2-Hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
CID 43187945
N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 43419610

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one (CID 3075727) is 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one is CC(C)(C)NCC(O)CN1CCCC1=O.
What is the InChIKey of 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is YKKZZLHOGQVAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)12-7-9(14)8-13-6-4-5-10(13)15/h9,12,14H,4-8H2,1-3H3.
What are the key properties of 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 3075727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).