N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide

C11H22N2O2 — CID 129494486

IUPACN-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1CC[C@H](O)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-6-12(2)11(15)9-13-7-5-10(14)8-13/h10,14H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyWHLCPLZECUVVDG-JTQLQIEISA-N
MW214.31 g/mol
LogP0.31
Rot. Bonds5

About N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide

N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide (PubChem CID 129494486) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
PubChem CID129494486
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1CC[C@H](O)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-6-12(2)11(15)9-13-7-5-10(14)8-13/h10,14H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyWHLCPLZECUVVDG-JTQLQIEISA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Hydroxypyrrolidin-1-yl)ethanone
CID 10197700
Acetamide, N-methyl-N-[4-(3-hydroxypyrrolidinyl)-2-butynyl]-
CID 536669
(R)-1-Acetyl-3-pyrrolidinol
CID 10486876
1-((3S)-3-Hydroxypyrrolidin-1-yl)ethan-1-one
CID 55267746
1-butyl-4-[(2S)-2,3-dihydroxypropyl]piperazin-2-one
CID 129622524
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111334032
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 111334063
rac-(3R,4R)-4-fluoro-1-[(4-methyl-1,4-diazepan-1-yl)acetyl]pyrrolidin-3-ol
CID 131929242
rac-(3R,4R)-1-{2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl}-4-fluoropyrrolidin-3-ol
CID 132407857
rel-(3R,4R)-1-(N-cyclopentyl-N-methylglycyl)-4-fluoro-3-pyrrolidinol
CID 145938617
1-(3-Hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 14380333
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 14380334

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide (CID 129494486) is N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide is CCCCN(C)C(=O)CN1CC[C@H](O)C1.
What is the InChIKey of N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is WHLCPLZECUVVDG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-4-6-12(2)11(15)9-13-7-5-10(14)8-13/h10,14H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 214.31 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 129494486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).