3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one

C10H20N2O2 — CID 103532824

IUPAC3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
SMILESCCC(N)CC(=O)N1CCC(OC)C1
InChIInChI=1S/C10H20N2O2/c1-3-8(11)6-10(13)12-5-4-9(7-12)14-2/h8-9H,3-7,11H2,1-2H3
InChIKeyZPXXYYJMKZFKGQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds4

About 3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one

3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one (PubChem CID 103532824) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
PubChem CID103532824
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
SMILESCCC(N)CC(=O)N1CCC(OC)C1
InChIInChI=1S/C10H20N2O2/c1-3-8(11)6-10(13)12-5-4-9(7-12)14-2/h8-9H,3-7,11H2,1-2H3
InChIKeyZPXXYYJMKZFKGQ-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532931
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 102957596
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 81071725
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 79025055
2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 43649581

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one (CID 103532824) is 3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one is CCC(N)CC(=O)N1CCC(OC)C1.
What is the InChIKey of 3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
The InChIKey is ZPXXYYJMKZFKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-8(11)6-10(13)12-5-4-9(7-12)14-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one?
3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 103532824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).