[3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone

C13H23NO3 — CID 75433781

IUPAC[3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
SMILESCOCCC1(C(=O)N2CCC(CO)C2)CCC1
InChIInChI=1S/C13H23NO3/c1-17-8-6-13(4-2-5-13)12(16)14-7-3-11(9-14)10-15/h11,15H,2-10H2,1H3
InChIKeyGEFKWBFTYHKTAK-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.03
Rot. Bonds5

About [3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone

[3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone (PubChem CID 75433781) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is [3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
PubChem CID75433781
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name[3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
SMILESCOCCC1(C(=O)N2CCC(CO)C2)CCC1
InChIInChI=1S/C13H23NO3/c1-17-8-6-13(4-2-5-13)12(16)14-7-3-11(9-14)10-15/h11,15H,2-10H2,1H3
InChIKeyGEFKWBFTYHKTAK-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(Hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 86815516
N-{[1-(hydroxymethyl)cyclopentyl]methyl}-1-(methoxymethyl)-N-methylcyclobutanecarboxamide
CID 124215405
3-Fluoro-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120202589
1-(2-(Hydroxymethyl)-6-azaspiro[3.4]octan-6-yl)ethanone
CID 71628992
1-[3-(Hydroxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-1-one
CID 109874005
[(1S,2R)-2-(hydroxymethyl)cyclobutyl]-pyrrolidin-1-ylmethanone
CID 117840809
[(1S,2S)-2-(hydroxymethyl)cyclobutyl]-pyrrolidin-1-ylmethanone
CID 117840942
[(1R,2S)-2-(hydroxymethyl)cyclobutyl]-pyrrolidin-1-ylmethanone
CID 117840973
[(1R,2R)-2-(hydroxymethyl)cyclobutyl]-pyrrolidin-1-ylmethanone
CID 117841086
(3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 118444512
(3,3-Dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone
CID 118447919
1-(2-Hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one
CID 118893899

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone (CID 75433781) is [3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone is COCCC1(C(=O)N2CCC(CO)C2)CCC1.
What is the InChIKey of [3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The InChIKey is GEFKWBFTYHKTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-17-8-6-13(4-2-5-13)12(16)14-7-3-11(9-14)10-15/h11,15H,2-10H2,1H3.
What are the key properties of [3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
[3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone has a molecular weight of 241.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone is sourced from PubChem (CID 75433781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).