2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone

C12H24N2O2 — CID 65111665

IUPAC2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCC(O)(CC)CNCC(=O)N1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-12(16,4-2)10-13-9-11(15)14-7-5-6-8-14/h13,16H,3-10H2,1-2H3
InChIKeyGWVFEYNVKVRCEJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds6

About 2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone

2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 65111665) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID65111665
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCC(O)(CC)CNCC(=O)N1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-12(16,4-2)10-13-9-11(15)14-7-5-6-8-14/h13,16H,3-10H2,1-2H3
InChIKeyGWVFEYNVKVRCEJ-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-{2-[(3R*,4R*)-3-hydroxy-3-isopropyl-4-methyl-1-pyrrolidinyl]-2-oxoethyl}urea
CID 72896885
2-[(2-ethyl-2-hydroxybutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65111596
N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79038911
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-[(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
1-[(3R,4R)-3-hydroxy-3-methyl-4-(methylamino)pyrrolidin-1-yl]ethanone
CID 117950074
2-acetamido-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]acetamide
CID 143049112

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone (CID 65111665) is 2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone is CCC(O)(CC)CNCC(=O)N1CCCC1.
What is the InChIKey of 2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is GWVFEYNVKVRCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(16,4-2)10-13-9-11(15)14-7-5-6-8-14/h13,16H,3-10H2,1-2H3.
What are the key properties of 2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone?
2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 228.34 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2-hydroxybutyl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 65111665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).