2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone

C11H22N2O2 — CID 65105993

IUPAC2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCC(C)(O)CNCC(=O)N1CCCC1
InChIInChI=1S/C11H22N2O2/c1-3-11(2,15)9-12-8-10(14)13-6-4-5-7-13/h12,15H,3-9H2,1-2H3
InChIKeyCJTZZGBAXVZLAT-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds5

About 2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone

2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 65105993) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID65105993
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCC(C)(O)CNCC(=O)N1CCCC1
InChIInChI=1S/C11H22N2O2/c1-3-11(2,15)9-12-8-10(14)13-6-4-5-7-13/h12,15H,3-9H2,1-2H3
InChIKeyCJTZZGBAXVZLAT-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-[(2-Hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone
CID 71918035
N-(tert-butyl)-2-[(3R)-3-hydroxy-3,4,4-trimethyl-1-pyrrolidinyl]acetamide
CID 72872411
1-(3-Hydroxy-3-methylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 103727486
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103728699
2-(Tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 113241013
2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113630215
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119800784
1-(3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl)-2-(methylamino)ethan-1-one
CID 119800785
1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129465552
1-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129465553
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 154750960
2-(dimethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 19816304

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone (CID 65105993) is 2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone is CCC(C)(O)CNCC(=O)N1CCCC1.
What is the InChIKey of 2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is CJTZZGBAXVZLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(2,15)9-12-8-10(14)13-6-4-5-7-13/h12,15H,3-9H2,1-2H3.
What are the key properties of 2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone?
2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 214.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 65105993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).