3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one

C11H22N2O2 — CID 103355889

IUPAC3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one
SMILESCCCC(N)CC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-9(12)7-10(14)13-6-5-11(2,15)8-13/h9,15H,3-8,12H2,1-2H3
InChIKeyBFPDOMNOAOLPLQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.49
Rot. Bonds4

About 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one

3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one (PubChem CID 103355889) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one
PubChem CID103355889
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one
SMILESCCCC(N)CC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-9(12)7-10(14)13-6-5-11(2,15)8-13/h9,15H,3-8,12H2,1-2H3
InChIKeyBFPDOMNOAOLPLQ-UHFFFAOYSA-N
XLogP0.49
TPSA66.56 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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-methylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide
CID 170196545
2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide
CID 170366403
6-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one
CID 113675152
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119800820
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119800821
4-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 120563291
4-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one
CID 120563292
N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]hexanamide
CID 21041195
N-(3-hydroxy-2-methylbutan-2-yl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 166772625
1-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 64340336
N-(2-ethyl-2-hydroxybutyl)-2-pyrrolidin-2-ylacetamide
CID 65106016
N-(2-hydroxy-2-methylbutyl)-2-pyrrolidin-2-ylacetamide
CID 65106064

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one (CID 103355889) is 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one is CCCC(N)CC(=O)N1CCC(C)(O)C1.
What is the InChIKey of 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one?
The InChIKey is BFPDOMNOAOLPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-4-9(12)7-10(14)13-6-5-11(2,15)8-13/h9,15H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one?
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 103355889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).